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Basic Information
CAS No.: 119034-01-4
Name: (2E)-N-(4-methoxyphenyl)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazinecarboxamide
Molecular Structure:
Molecular Structure of 119034-01-4 ((2E)-N-(4-methoxyphenyl)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazinecarboxamide)
Formula: C14H16 N4 O2
Molecular Weight: 272.34
Density: 1.194g/cm3
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.
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  • 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone

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    1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone

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  • 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone

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    1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone

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Chemistry

The Molecular Structure of 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone (CAS NO.119034-01-4):

Molecular Formula: C14H16N4O2
Molecular Weight: 272.302440 g/mol
IUPAC: 1-(4-methoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
Density: 1.194 g/cm3
Polar Surface Area: 67.65Å2
Index of Refraction: 1.59
Molar Refractivity: 76.957 cm3
Molar Volume: 227.962 cm3
Surface Tension: 44.417 dyne/cm
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2 ACD/LogD (pH 7.4): 2
ACD/BCF (pH 5.5): 41 ACD/BCF (pH 7.4): 41
ACD/KOC (pH 5.5): 494 ACD/KOC (pH 7.4): 493 
InChI: InChI=1/C14H16N4O2/c1-18-9-3-4-12(18)10-15-17-14(19)16-11-5-7-13(20-2)8-6-11/h3-10H,1-2H3,(H2,16,17,19)/b15-10+
Smiles: N(\N=C\c1n(ccc1)C)C(=O)Nc1ccc(cc1)OC

Toxicity Data With Reference

1.    

orl-mus LD50:852 µg/kg

     YHHPAL    Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. 24 (1989),822.

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

 1H-Pyrrole-2-carboxaldehyde, 1-methyl-, 4-(p-methoxyphenyl)semicarbazone (CAS NO.119034-01-4) is also called as Semicarbazide, 4-(p-methoxyphenyl)-1-((1-methyl-2-pyrrolyl)methylene)- ; Hydrazinecarboxamide, N-(4-methoxyphenyl)-2-((1-methyl-1H-pyrrol-2-yl)methylene)- (9CI) .