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γ-Guanidinobutyric acid

γ-Guanidinobutyric acid structure

CAS No:
463-00-3
Formula:
C5H11N3O2
Chemical Name:
γ-Guanidinobutyric acid
Synonyms:
Butanoic acid,4-[(aminoiminomethyl)amino]-;Butyric acid,4-guanidino-;4-[(Aminoiminomethyl)amino]butanoic acid;γ-Guanidinobutyric acid;γ-Guanidinebutyric acid;4-Guanidinobutanoic acid;HL 6450;NSC 521717;N-(4-Butanoic acid)guanidine;4-Guanidinobutyric acid;19841-67-9;13516-07-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

4-Guanidinobutanoic acid is a normal metabolite present in low concentrations.

Solid

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 derives from a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion.

γ-Guanidinobutyric acid Basic Attributes

Molecular Weight：

145.16000

Exact Mass：

145.16

EC Number：

207-331-1

UNII：

15ADP48O8Q

NSC Number：

521717

DSSTox ID：

DTXSID50196785

HScode：

2925290090

Characteristics

PSA：

99.20000

XLogP3：

0.52520

Appearance：

Solid

Density：

1.37g/cm3

Melting Point：

246-248 °C (decomp)

Boiling Point：

377ºC at 760mmHg

Flash Point：

181.8ºC

Refractive Index：

1.561

Collision Cross Section：

129.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|132.8 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|130 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|129.9 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

4-guanidinobutyric acid

Computed Properties

Molecular Weight:145.16
XLogP3:-1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:145.085126602
Monoisotopic Mass:145.085126602
Topological Polar Surface Area:102
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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γ-Guanidinobutyric acid

CAS No.: 463-00-3

Grade: Industrial Grade

Content: 98%

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