CAS 10606-14-1 6-Amino-2-oxohexanoic acid (HCID 439954)

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Basic information

CAS: 10606-14-1
Standard SMILES: NCCCCC(=O)C(=O)O
InChIKey: GWENQMVPLJAMAE-UHFFFAOYSA-N
Molecular formula: C6H11NO3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.07389321

Overview

6-amino-2-oxohexanoic acid is a 2-oxo monocarboxylic acid and an epsilon-amino acid. It has a role as a human metabolite. It is functionally related to a hexanoic acid. It is a tautomer of a 6-amino-2-oxohexanoic acid zwitterion.

Names & identifiers

Preferred name: 6-Amino-2-oxohexanoic acid
IUPAC: 6-amino-2-oxohexanoic acid
English name: omega-Amino-alpha-ketocaproic acid
Molecular formula: C6H11NO3
Molecular weight: 145.16

Names & synonyms

6-amino-2-oxohexanoic acid10606-14-1CHEBI:17534DTXSID101311368RefChem:1073783DTXCID5017411832-Oxo-6-aminocaproate6-Amino-2-oxohexanoate2-keto-6-aminocaproateHexanoic acid, 6-amino-2-oxo-alpha-ketolysine6-Azanyl-2-Oxidanylidene-Hexanoic Acid

Show more names

omega-Amino-alpha-ketocaproic acidepsilon-Amino-alpha-oxohexanoic acid

alpha-keto-epsilon-aminocaproatealpha-keto-epsilon-aminohexanoate2-oxo-6-aminocaproic acid2-oxo-6-aminohexanoic acid2-oxo-6-aminohexanoateC032392-Keto-6-amino-caproic acidSCHEMBL728991

Database identifiers

CAS: 10606-14-1
PubChem CID: 439954
DTXSID: DTXSID101311368
ChEBI: CHEBI:17534
Nikkaji: J39.064J

Properties

Computed structural properties

XLogP: -2.9
Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point: 215 · 215-216℃ (decomposition)
Boiling point: 264.3 · 264.3±23.0 °C(Predicted)
Density: 1.18 · 1.180±0.06 g/cm3(Predicted)
pka: 2.51 · 2.51±0.54(Predicted)

Chemistry & industry

Suppliers5 total

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

上海之坤生物科技有限公司15821335126 15821335126 · [email protected]

上海杰股生物科技有限公司021-51698675 · [email protected]

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Additional notes

DefinitionChEBI: 6-amino-2-oxohexanoic acid is a 2-oxo monocarboxylic acid and an epsilon-amino acid. It has a role as a human metabolite. It is functionally related to a hexanoic acid. It is a tautomer of a 6-amino-2-oxohexanoic acid zwitterion.