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463-00-3

463-00-3 Structure

463-00-3 Structure
IdentificationBack Directory
[Name]

4-GUANIDINOBUTYRIC ACID
[CAS]

463-00-3
[Synonyms]

4-GBA
HL 6450
NSC 521717
4-guanidinobutanoate
GUANIDINOBUTYRIC ACID
4-Guanidobutyric acid
4-guanidinobutanoicaci
4-GUANIDINOBUTYRIC ACID
gamma-guanidinobutyrate
G-GUANIDINOBUTYRIC ACID
γ-Guanidinobutanoic acid
4-GUANIDINOBUTANOIC ACID
GAMMA-GUANIDO BUTYRIC ACID
GAMMA-GUANIDINOBUTYRIC ACID
gamma-Guanidinebutyric acid
g-Guanidinobutyric acid 98%
4-GUANIDINOBUTYRIC ACID 99+%
N-(4-Butanoic acid)guanidine
4-Guanidinobutyric acid >=98%
4-(N-Amidinoamino)butanoic acid
4-[(AMINOIMINOMETHYL)AMINO]BUTANOIC ACID
4-(diaminomethylideneamino)butanoic acid
Butanoic acid, 4-[(aMinoiMinoMethyl)aMino]-
4-[bis(azanyl)methylideneamino]butanoic acid
[EINECS(EC#)]

207-331-1
[Molecular Formula]

C5H11N3O2
[MDL Number]

MFCD00037314
[MOL File]

463-00-3.mol
[Molecular Weight]

145.16
Chemical PropertiesBack Directory
[Melting point ]

280-282 °C
[Boiling point ]

322.2±44.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Aqueous Base (Slightly), Water (Slightly)
[form ]

Solid
[pka]

4.60±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

1766447
[InChI]

1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
[InChIKey]

TUHVEAJXIMEOSA-UHFFFAOYSA-N
[SMILES]

NC(=N)NCCCC(O)=O
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Gamma-Guanidinobutyric acid (4-GBA) is used to study intestinal transport by the human proton-coupled amino acid transporter(s) (hPAT1). 4-GBA is used with other model compounds such as 1,6-diaminohexane, 1,6-diguanidinohexane, and 1,6-di(cyanoguanidino)hexane to study the biodegradability of the biocide polyhexamethylene biguanide (PHMB).
[Definition]

ChEBI: 4-guanidinobutanoic acid is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is functionally related to a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

4-GUANIDINOBUTYRIC ACID(463-00-3)1HNMR
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