Alanine, methyl ester, hydrochloride (1:1)

HCID 2756298CAS 13515-97-4

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(C)N.Cl
InChIKey: IYUKFAFDFHZKPI-UHFFFAOYSA-N
Molecular formula: C4H10ClNO2
Average molar mass: 139.58 g/mol
Monoisotopic mass: 139.04000624

Names & identifiers

Preferred name: Alanine, methyl ester, hydrochloride (1:1)
IUPAC: methyl 2-aminopropanoate;hydrochloride

Names & synonyms

13515-97-4Methyl DL-alaninate hydrochlorideRefChem:553251alanine, methyl ester, hydrochloride (1:1)236-854-8H-DL-Ala-OMe.HClDL-Alanine methyl ester hydrochloridemethyl 2-aminopropanoate hydrochlorideMethyl DL-2-aminopropanoate hydrochlorideMFCD00035523methyl 2-aminopropanoate;hydrochlorideSCHEMBL248769

Show more names

AI3-28808DTXSID80928899NSC29729l-alanine methyl ester hydrochlo-rideNSC-29729methyl 2-aminopropanate monohydrochloride(1-Methoxy-1-oxopropan-2-yl)azanium;chloridemethyl alaninate hydrochloride

Database identifiers

CAS: 13515-97-4、14316-06-4、2491-20-5
PubChem CID: 2756298
DTXSID: DTXSID80928899
EC Number: 236-854-8

Properties

Computed structural properties

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 72.1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.