L-Alanine methyl ester

HCID 82335
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Basic information

CAS
10065-72-2
Standard SMILES
COC(=O)[C@H](C)N
InChIKey
DWKPPFQULDPWHX-VKHMYHEASA-N
Molecular formula
C4H9NO2
Average molar mass
103.12 g/mol
Monoisotopic mass
103.06332853

Overview

RN refers to (L-Ala)-isomer

Names & identifiers

Preferred name
L-Alanine methyl ester
IUPAC
methyl (2S)-2-aminopropanoate
English name
methyl L-alaninate
Molecular formula
C4H9NO2
Molecular weight
103.12

Names & synonyms

10065-72-2Alanine methyl esterL-ALANINE METHYL ESTERRefChem:110484233-201-9(S)-methyl 2-aminopropanoateMethyl L-alaninatemethyl (2S)-2-aminopropanoateL-Alanine, methyl ester(S)-alanine methyl ester(+)-L-Alanine methyl esterAlanine, methyl ester
Show more names
Mehtyl (S)-2-aminopropionateN-phthalyl-βEinecs 233-201-9methyl L-alanite-alanine-d3 Ethyl Ester-alanine-d3 Methyl EsterN-(4-Aminobenzoyl)-&beta
L-Alanine methyl ester (hydrochloride)alanine methylesterAla-OMel-ala methyl esterEINECS 233-201-9H-Ala-OMeL-Ala-OMe(L)-Ala-OMe

Database identifiers

CAS
10065-72-2
PubChem CID
82335
DTXSID
DTXSID40905646
ChEMBL
CHEMBL590283
UNII
FXA5VQA2G4
EC Number
233-201-9
Nikkaji
J100.353D

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

Boiling point
38 °C · 38 °C(Press: 14 Torr)
Density
1.01 · 1.010±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
7.87 · 7.87±0.29(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers12 total

天津始加生物医药科技有限公司15022261580 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]

Related reactions

36 records
New reaction record

Compound notes

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