L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)

HCID 2734892

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Basic information

CAS: 32213-95-9
Standard SMILES: COC(=O)C[C@H](N)C(=O)OC.Cl
InChIKey: PNLXWGDXZOYUKB-WCCKRBBISA-N
Molecular formula: C6H12ClNO4
Average molar mass: 197.62 g/mol

Names & identifiers

Preferred name: L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)
IUPAC: dimethyl (2S)-2-aminobutanedioate;hydrochloride

Names & synonyms

32213-95-9RefChem:1088133L-Aspartic acid, 1,4-dimethyl ester, hydrochloride (1:1)H-Asp(ome)-OMe HClL-Aspartic acid dimethyl ester hydrochlorideH-Asp(OMe)-OMe.HClMFCD00038878dimethyl (2S)-2-aminobutanedioate;hydrochloride(S)-Dimethyl 2-aminosuccinate hydrochlorideL-Asparaginic Acid Dimethyl Ester HydrochlorideAKOS016842882HY-W009840

Show more names

[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl]azanium;chlorideL-aspartic acid dimethyl ester hydrochorideM03013(S)-Aminosuccinic Acid Dimethyl Ester HydrochlorideL-Aspartic acid dimethyl ester HClL-Aspartic Acid Dimethyl Ester Hydrochloride; Dimethyl (S)-2-Aminosuccinate Hydrochloride; Dimethyl (S)-Aspartate Hydrochloride; Dimethyl Aspartate Hydrochloride; NSC 112494;aspartic acid dimethyl ester hydrochloride(S)-DIMETHYL 2-AMINOSUCCINATE HCL

Database identifiers

CAS: 32213-95-9
PubChem CID: 2734892
EC Number: 250-957-5

Properties

Computed structural propertiesFilling in

Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 157

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.