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140448-34-6

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Basic Information
CAS No.: 140448-34-6
Name: N-Methoxy-2-nitro-1H-imidazole-1-butanamide
Molecular Structure:
Molecular Structure of 140448-34-6 (N-Methoxy-2-nitro-1H-imidazole-1-butanamide)
Formula: C8H12 N4 O4
Molecular Weight: 228.21
Synonyms: KIN844
Density: 1.41g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
PSA: 105.46000
LogP: 1.61260
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  • N-Methoxy-2-nitro-1H-imidazole-1-butanamide

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Chemistry

Empirical Formula of N-Methoxy-2-nitro-1H-imidazole-1-butanamide (CAS NO.140448-34-6): C8H12N4O4
Molecular Weight: 228.2053 
Index of Refraction: 1.592
Density: 1.41 g/cm3
Structure of N-Methoxy-2-nitro-1H-imidazole-1-butanamide (CAS NO.140448-34-6):
                        
IUPAC Name: N-Methoxy-4-(2-nitroimidazol-1-yl)butanamide
Canonical SMILES: CONC(=O)CCCN1C=CN=C1[N+](=O)[O-]
InChI: InChI=1S/C8H12N4O4/c1-16-10-7(13)3-2-5-11-6-4-9-8(11)12(14)15/h4,6H,2-3,5H2,1H3,(H,10,13)
InChIKey: CNCJKXXSGCVHLP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus TDLo:50 mg/kg

     BIPBU*    Biological & pharmaceutical bulletin. 25 (2002),591.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition N-Methoxy-2-nitro-1H-imidazole-1-butanamide (CAS NO.140448-34-6) emits toxic vapors of NOx.

Specification

 N-Methoxy-2-nitro-1H-imidazole-1-butanamide , its cas register number is 140448-34-6. It also can be called Kin-844 ; and 1H-Imidazole-1-butanamide, N-methoxy-2-nitro- .