Methyl D-valinate hydrochloride

HCID 11984198CAS 7146-15-8

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Basic information

Standard SMILES: COC(=O)[C@H](N)C(C)C.Cl
InChIKey: KUGLDBMQKZTXPW-NUBCRITNSA-N
Molecular formula: C6H14ClNO2
Average molar mass: 167.63 g/mol
Monoisotopic mass: 167.07130637

Names & identifiers

Preferred name: Methyl D-valinate hydrochloride
IUPAC: methyl (2R)-2-amino-3-methylbutanoate;hydrochloride

Names & synonyms

Methyl D-valinate hydrochlorideMethyl D-valinate HClEINECS 230-454-7DTXSID60221673NSC 22921RefChem:817708DTXCID90144164230-454-77146-15-8D-Valine methyl ester hydrochlorideH-D-Val-OMe.HCl21685-47-2

Show more names

H-D-VAL-OME HCLMFCD00237309D-Valine methyl ester HClO-Methyl-D-valine (hydrochloride)(R)-Methyl 2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate;hydrochlorideH-D-Val-OMe

Database identifiers

CAS: 7146-15-8
PubChem CID: 11984198
DTXSID: DTXSID60221673
EC Number: 230-454-7

Properties

Computed structural properties

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: 101

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.