Methyl 2-aminopent-4-ynoate hydrochloride

HCID 53399010

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Basic information

CAS: 178389-41-8
Standard SMILES: C#CCC(N)C(=O)OC.Cl
InChIKey: YTSKPYFAKGFHRE-UHFFFAOYSA-N
Molecular formula: C6H10ClNO2
Average molar mass: 163.6 g/mol

Names & identifiers

Preferred name: Methyl 2-aminopent-4-ynoate hydrochloride
IUPAC: methyl 2-aminopent-4-ynoate;hydrochloride

Names & synonyms

178389-41-8METHYL 2-AMINOPENT-4-YNOATE HYDROCHLORIDERefChem:814113851-869-5methyl 2-aminopent-4-ynoate;hydrochloride4-Pentynoic acid, 2-amino-, methyl ester, hydrochloride (1:1)H-Propargyl-Gly-OMe . HCl;(S)-2-Amino-4-pentynoic acid-methyl ester . HClH-Pra-OMe.HClL-Propargylglycine methyl ester hydrochlorideSCHEMBL1523990SCHEMBL4338642YTSKPYFAKGFHRE-UHFFFAOYSA-N

Show more names

DHA38941AT23614PROPARGYLGLYCINE METHYL ESTER HCLEN300-250912METHYL2-AMINOPENT-4-YNOATEHYDROCHLORIDE2-Amino-pent-4-ynoic acid methyl ester hydrochloride

Database identifiers

CAS: 178389-41-8
PubChem CID: 53399010
EC Number: 851-869-5

Properties

Computed structural propertiesFilling in

Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 144

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.