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3251-08-9

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Basic Information
CAS No.: 3251-08-9
Name: 4-aminobutyramide
Article Data: 9
Molecular Structure:
Molecular Structure of 3251-08-9 (4-aminobutyramide)
Formula: C4H10N2O
Molecular Weight: 102.136
Synonyms: Butanamide,4-amino;GABA amide;4-amino-n-butyric acid amide;4-aminobutyl amide;4-amino butyric acid amide;3-aminopropyl carboxylic acid amide;BUTYRAMIDE,4-AMINO;EINECS 221-836-4;2-aminoethylacetamide;4-Aminobutyramide;
Density: 1.031g/cm3
Boiling Point: 300.8°Cat760mmHg
Flash Point: 135.7°C
Safety: Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and AMIDES.
PSA: 70.10000
LogP: 1.06060
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Chemistry

Molecular Formula: C4H10N2O
Molar mass: 102.135 g/mol
Density: 1.031 g/cm3
Flash Point: 135.7 °C
Index of Refraction: 1.47
Boiling Point: 300.8 °C at 760 mmHg
Vapour Pressure: 0.0011 mmHg at 25°C
Structure of 4-Aminobutyramide (221-836-4):

XLogP3-AA: -1.5
H-Bond Donor: 2
H-Bond Acceptor: 2
Systematic Name: 4-Aminobutanamide 
SMILES: O=C(N)CCCN 
InChI: InChI=1/C4H10N2O/c5-3-1-2-4(6)7/h1-3,5H2,(H2,6,7) 
InChIKey: WCVPFJVXEXJFLB-UHFFFAOYAG 
Std. InChI: InChI=1S/C4H10N2O/c5-3-1-2-4(6)7/h1-3,5H2,(H2,6,7) 
Std. InChIKey: WCVPFJVXEXJFLB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-rat LD50:900 mg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 13 (1965),70.
2.    

ipr-mus LD50:1080 mg/kg

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 13 (1965),70.
3.    

ivn-rbt LDLo:350 mg/kg
4.    

 

     AITEAT    Archivum Immunologiae et Therapiae Experimentalis. 13 (1965),70.

Safety Profile

Moderately toxic by some routes. When heated to decomposition it emits toxic fumes of NOx. See also AMINES and AMIDES.

Specification

 4-Aminobutyramide (3251-08-9) also can be called gamma-Aminobutyric acid amide ; Gabalid and Butyramide, 4-amino- .