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Home> Encyclopedia >   /  Amine  /  Pharmaceutical Intermediates  /  Organic Intermediate
L-1-Phenylethylamine structure
L-1-Phenylethylamine structure

L-1-Phenylethylamine

Iupac Name:(1S)-1-phenylethanamine
CAS No.: 2627-86-3
Molecular Weight:121.17964
Modify Date.: 2022-11-01 09:57
Introduction: L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole View more+
1. Names and Identifiers
1.1 Name
L-1-Phenylethylamine
1.2 Synonyms

(-)-alpha-Phenethylamine (-)-PEA (+)-α-Methylbenzylamine (+)-α-PHENYLETHYLAMINE (1R)-(+)-1-Phenylethylamine (1R)-1-Phenylethanamine (1R)-1-Phenylethylamine (1S)-1-PHENYLETHYLAMINE (R)-(+)-α-Methylbenzylamine (R)-1-phenylethanamine (R)-1-phenylethylamine (R)-α-Methylbenzenemethanamine (S)-(&minus)-1-Phenylethylamine (S)-(&minus)-α-Methylbenzylamine (S)-(-)-1-METHYLBENZYLAMINE (S)-(-)-1-Phenylethylamine (S)-(-)-ALPHA-METHYLBENZYLAMINE (S)-(-)-α-Methylbenzylamine (S)-1-Amino-1-phenylethane (S)-1-PHENYLETHANAMINE (S)-1-phenyl-ethylamine (S)-alpha-Methylbenzenemethanamine (s)-benzenemethanamin 1-Phenylethylamine aniline, N-ethyl- ANILINE,N-ETHYL Benzenamine, N-ethyl- benzenemethanamine, a-methyl-, (aR)- Benzenemethanamine, α-methyl-, (R)- Benzenemethanamine, α-methyl-, (αR)- EINECS 220-098-0 L(-)-alpha-Methylbenzylamine L-Phenethylamine L-PHENYLETHYLAMINE MFCD00064406 n-Ethyl aniline N-Ethylaminobenzene N-Ethylaniline N-Ethylaniline [UN2272] [Poison] N-Ethylbenzenamine N-ethylbenzeneamine N-Ethyl-N-phenylamine p-Ethylaminobenzene R-(+)-α-Phenylethylamine S-(-)-ALPHA-PHENYLETHYLAMINE S(-)PHENYLETHYLAMINE S-(-)-α-phenylethylamine Tetra-SodiumPyrophosph

1.3 CAS No.
2627-86-3
1.4 CID
75818
1.5 EINECS(EC#)
220-098-0
1.6 Molecular Formula
C8H11N (isomer)
1.7 Inchi
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
1.8 InChkey
RQEUFEKYXDPUSK-ZETCQYMHSA-N
1.9 Canonical Smiles
CC(C1=CC=CC=C1)N
1.10 Isomers Smiles
C[C@@H](C1=CC=CC=C1)N
2. Properties
3.1 Density
0.94
3.1 Melting point
-10℃
3.1 Boiling point
187-189℃
3.1 Refractive index
1.525-1.527
3.1 Flash Point
79℃
3.1 Precise Quality
121.08900
3.1 PSA
26.02000
3.1 logP
2.40660
3.1 Solubility
42g/l
3.2 Appearance
clear liquid
3.3 Storage
Air Sensitive. Store under Argon. Ambient temperatures.
3.4 Chemical Properties
Colorless to light yellow liqui
3.5 Color/Form
Clear colorless
3.6 PH
>7 (H2O, 20°C) (undiluted)
3.7 pKa
9.04±0.10(Predicted)
3.8 Water Solubility
4.2%
3.9 Stability
Stable under normal temperatures and pressures. Absorbs carbon dioxide from the air.
3.10 StorageTemp
2-8°C
3. Use and Manufacturing
4.1 Definition
ChEBI: The (S)-enantiomer of 1-phenylethanamine. L-1-Phenylethylamine Preparation Products And Raw materials Raw materials
4.2 Usage
L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole
4. Safety and Handling
5.1 Symbol
GHS05, GHS06
5.1 Hazard Codes
C
5.1 Signal Word
Danger
5.1 Risk Statements
R21/22;R35
5.1 Safety Statements
S26;S28;S36/37/39;S45
5.1 Packing Group
III
5.1 Hazard Class
8
5.1 Hazard Declaration
H302-H311-H314
5.1 RIDADR
UN 2735
5.1 Caution Statement
P280-P305 + P351 + P338-P310
5.1 WGK Germany
1
5.1 RTECS
DP5775000
5.1 Sensitive
Air Sensitive
5.2 Toxicity
LD50 orally in Rabbit: 980 mg/kg LD50 dermal Rabbit 730 mg/kg
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
(S)-(-)-1-Phenylethylamine is utilized in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole.
9.1 Merck
14,6026
9.2 BRN
2204907
9.3 Chemical Properties
Colorless to light yellow liqui
9.4 Uses
L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole
9.5 Uses
Used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole.
10. Computational chemical data
  • Molecular Weight: 121.17964g/mol
  • Molecular Formula: C8H11N
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 121.089149355
  • Monoisotopic Mass: 121.089149355
  • Complexity: 74.6
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 26
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADCjBGAQyAIBAAACAAiBCAACCAAAgAAAIiIAABIgIICKAkRGAIABgkAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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