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Home> Encyclopedia > Hot Product Listed B   > Benzeneethanamine, b-methyl-, (bS)-
17596-79-1 structure

Benzeneethanamine, b-methyl-, (bS)-

Iupac Name:(2S)-2-phenylpropan-1-amine
CAS No.:17596-79-1
Molecular Weight:135.21
Molecular Formula:C9H13N (isomer)
Names and Identifiers
Synonyms

((2s)-2-phenylpropyl)amine (-)-2-Phenylpropylamine (2s)-2-phenyl-1-propanamine (2s)-2-phenylpropan-1-amine (2S)-Phenylpropan-1-amine (s)-(-)-|?-methylphenethylamine (s)-(-)-2-phenyl propylamine (s)-(-)-2-phenyl-1-propylamine (s)-(-)-2-phenylpropylamine (S)-(-)-Beta-Methlphenethylamine (s)-(-)-beta-methylphenethylamine (s)-(-)-beta-methylphenethylamine, 99% (s)-(-)-b-methylphenethylamine (s)-(+)-2-phenyl-propylamine (S)-1-Amino-2-phenylpropane (s)-2-phenyl propylamine (s)-2-phenyl-1-propanamine (s)-2-phenyl-1-propylamine (s)-2-phenylpropan-1-amine (S)-2-Phenylpropylamine (s)-2-phenyl-propylamine (s)-beta-methylphenethylamine (s)-beta-methylphenethylamine, 99% (s)-b-methylphenethylamine [(2s)-2-phenylpropyl]amine 596m791 A812138 AB0019376 AB04902 AC1LU62I ACT00206 AJ-26437 AK-72786 AKOS006240272 AKOS015840017 AM803357 ANW-22805 AX8011367 AXORVIZLPOGIRG-MRVPVSSYSA-N bdbm50262840 benzeneethanamine, beta-methyl-, (betas)- Benzeneethanamine,b-methyl-, (S)- BR-72786 c-01590 cc-01226 CHEMBL448232 CTK3J6094 DTXSID00364270 fch932407 FT-0602422 J-011151 KB-05542 KSC496A9J LS30173 M1747 mfcd00216741 MOLPORT-001-767-834 OR082591 OR3244 PUBCHEM21084 RTR-008011 S-(-)-2-Phenylpropylamine s(-)-beta-methylphenethylamine S(-)-beta-methylphenylethylamine s(-)-methylphenethylamine s(-)--methylphenethylamine s-beta-methylphenethylamine SCHEMBL240503 ST24026575 SY022702 TR-008011 UNII-6XL7O3V13L COMPONENT AXORVIZLPOGIRG-MRVPVSSYSA-N Z-3369 ZINC1506854

Inchi
InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
InChkey
AXORVIZLPOGIRG-MRVPVSSYSA-N
Canonical Smiles
CC(CN)C1=CC=CC=C1
Properties
Density
0.945
Melting Point
207℃
Boiling Point
210°Cat760mmHg
Vapour
0.197mmHg at 25°C
Refractive Index
1.525
Flash Point
178?
Alpha
-35 º (C=1, ETOH)
HS Code
29214990
Safety and Handling
Hazard Codes
C
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
Safety

Hazard Codes: CorrosiveC
Risk Statements: 34
R34: (S)-2-Phenyl-1-propylamine (CAS NO.17596-79-1) causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27: Take off immediately all contaminated clothing. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45:I n case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)  
RIDADR: UN 2735 8/PG 3
WGK Germany: 3
F: 10-34

Transport
UN 2735
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

Response

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

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

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

Precursor and Product
Computational chemical data
  • Molecular Weight:135.21g/mol
  • Molecular Formula:C9H13N
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:135.105
  • Monoisotopic Mass:135.105
  • Complexity:84.7
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:10
  • 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: AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADQDBGAQyAIBAAACA AiBCAAACAAAgAAAIiIAAAIgIICKAkRGAIAAgkAAIiAcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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