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L-Serine methyl ester hydrochloride structure
L-Serine methyl ester hydrochloride structure

L-Serine methyl ester hydrochloride

Iupac Name:methyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CAS No.: 5680-80-8
Molecular Weight:155.58000
Modify Date.: 2022-11-29 06:00
Introduction:

Used in biochemical reagents and pharmaceutical intermediates.

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1. Names and Identifiers
1.1 Name
L-Serine methyl ester hydrochloride
1.2 Synonyms

(S)-Serine methyl ester hydrochloride 1: PN: RU2506269 PAGE: 13 claimed sequence H-Ser-OMe·HCl L-Serine methyl ester monohydrochloride L-Serine methyl ester·HCl L-Serine, methyl ester, hydrochloride L-Serine, methyl ester, hydrochloride (1:1) L-Serine,methyl ester, hydrochloride (9CI) Methyl (2S)-2-amino-3-hydroxy-propanoate hydrochloride Methyl (S)-2-amino-3-hydroxypropanoate hydrochloride Methyl L-serinate hydrochloride Methyl serinate hydrochloride NSC 84252 Serine methyl ester hydrochloride Serine, methyl ester, hydrochloride, L- Serine, methyl ester, hydrochloride, L-(6CI,7CI,8CI)

1.3 CAS No.
5680-80-8
1.4 CID
2723730
1.5 EINECS(EC#)
227-140-7
1.6 Molecular Formula
C4H10ClNO3 (isomer)
1.7 Inchi
InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m0./s1
1.8 InChkey
NDBQJIBNNUJNHA-DFWYDOINSA-N
1.9 Canonical Smiles
COC(=O)C(CO)N.Cl
1.10 Isomers Smiles
COC(=O)[C@H](CO)N.Cl
2. Properties
3.1 Melting point
160-165ºC
3.1 Boiling point
234.7ºC at 760 mmHg
3.1 Flash Point
95.8ºC
3.1 Precise Quality
155.03500
3.1 PSA
72.55000
3.1 logP
-0.01870
3.1 Appearance
White to off-white Crystalline Powder or Crystals
3.2 Storage
Hygroscopic. Store at -20°C.
3.3 Chemical Properties
White Solid L-Serine methyl ester hydrochlorideSupplier
3.4 Color/Form
Solid
3.5 pKa
pK1:7.03(+1) (25°C,μ=0.1)
3.6 Water Solubility
H2O: soluble
3.7 Stability
Stable under normal temperatures and pressures.
3.8 StorageTemp
?20°C
3. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25
4.1 Hazard Declaration
H315
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
4.1 WGK Germany
3
4.1 Safety

Safty information about Serine methyl ester (CAS NO.5680-80-8) is:
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26?
S24/25:Avoid contact with skin and eyes.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 3-10-21
HS Code: 29225000

4.2 Sensitive
Moisture Sensitive
4.3 Specification

?Serine methyl ester , its cas register number is 5680-80-8. It also can be called?Methyl L-serinate hydrochloride?; L-Serine methyl ester hydrochloride ; Methyl serinatehydrochloride .It is a white solid.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Usage
L-Serine methyl ester hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It is also a used as a raw material in peptide synthesis.
6.1 Mesh Entry Terms
L-serine methyl ester
7. Computational chemical data
  • Molecular Weight: 155.58000g/mol
  • Molecular Formula: C4H10ClNO3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 155.0349209
  • Monoisotopic Mass: 155.0349209
  • Complexity: 83.4
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 72.6
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYCCABABgAIAACQCAAAAAAAAAAAAIGAAAACEAQAAAABQAABMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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