4-Amino-3-hydroxybutanoic acid

HCID 2149

Substructure search Find similar structures

Basic information

CAS: 352-21-6
Standard SMILES: NCC(O)CC(=O)O
InChIKey: YQGDEPYYFWUPGO-UHFFFAOYSA-N
Molecular formula: C4H9NO3
Average molar mass: 119.12 g/mol
Monoisotopic mass: 119.05824315

Overview

Gamma-amino-beta-hydroxybutyric acid is a gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. It is a gamma-amino acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 4-amino-3-hydroxybutanoate. It is a tautomer of a gamma-amino-beta-hydroxybutyric acid zwitterion.

Names & identifiers

Preferred name: 4-Amino-3-hydroxybutanoic acid
IUPAC: 4-amino-3-hydroxybutanoic acid
English name: DL-4-Amino-3-hydroxybutyric acid
Molecular formula: C4H9NO3
Molecular weight: 119.11916

Names & synonyms

924-49-24-Amino-3-hydroxybutanoic acid4-Amino-3-hydroxybutyric acidGamibetalGabomadeBuksaminGamma-amino-beta-hydroxybutyric acid3-Hydroxy-GABABuxamineDTXSID10458771ZHM019FLDNSC-40244

Show more names

AHBA4-amino-3-hydroxy-butyricaci3-Hydroxy-4-amino-butyric acidC03678beta-oxy-gabaAminohydroxybutyricacid4-Amino-3-hydroxybutanoate

DTXCID9025877CHEBI:16080RefChem:912319206-518-5213-106-9GabobDL-4-Amino-3-hydroxybutyric acid352-21-6

Database identifiers

CAS: 352-21-6、924-49-2
PubChem CID: 2149
DTXSID: DTXSID1045877
ChEMBL: CHEMBL93515
ChEBI: CHEBI:16080
UNII: 1ZHM019FLD
EC Number: 206-518-5、213-106-9
Nikkaji: J5.691J

Properties

Computed structural properties

XLogP: -4.1
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 83.4

Physicochemical properties

Melting point: 157 · 157-161°C
Boiling point: 220.63 °C · 220.63°C (rough estimate)
Density: 1.3492 · 1.3492 (rough estimate)
refractive index: 1.454 · 1.4540 (estimate)
CAS DataBase Reference: 352 · 352-21-6(CAS DataBase Reference)
FDA UNII: 1 ZHM019FLD · 1ZHM019FLD
EPA Substance Registry System: 4 · Butanoic acid, 4-amino-3-hydroxy-(352-21-6)
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanoic acid, 4-amino-3-hydroxy-: ACTIVE

Suppliers37 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617

苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]

上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]

PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Gamma-amino-beta-hydroxybutyric acid is a gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. It is a gamma-amino acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 4-amino-3-hydroxybutanoate. It is a tautomer of a gamma-amino-beta-hydroxybutyric acid zwitterion.