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Methylcyanocarbamate

Methylcyanocarbamate structure

CAS No:
21729-98-6
Formula:
C3H4N2O2
Chemical Name:
Methylcyanocarbamate
Synonyms:
Methylcyanocarbamate;cyano-carbamic acid methyl ester;N-cyanocarbamic acid methyl ester;Methyl N-cyanocarbamate;Methoxycarbonylcyanamide;Carbamic acid, N-cyano-, methyl ester;Albendazole Impurity 7 (Methyl Cyanocarbamate);Methylcyancarbamat
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Methyl cyanocarbamate calcium salt [Ca2++ (NCN-—COOCH3)2] reacts with acid to form methyl cyanocarbamate, which is unstable to heat.

Methylcyanocarbamate Basic Attributes

Molecular Weight：

100.08

Exact Mass：

100.08

EC Number：

244-548-0

UNII：

ZTT2HH0P0A

TSCA：

TSCA listed

DSSTox ID：

DTXSID9027817

Characteristics

PSA：

62.1 Å²

Density：

1.272 g/cm3

PKA：

4.24±0.46(Predicted)

Critical Temperature & Pressure：

Store at room temperature

Methylcyanocarbamate Use and Manufacturing

Uses

Methylcyanocarbamate is an impurity of Albendazole (A511610), an anthelmintic drug. (Albendazole Impurity 7)

Manufacturing Info：

Carbamic acid, N-cyano-, methyl ester: INACTIVE

Computed Properties

Molecular Weight:100.08
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:100.027277375
Monoisotopic Mass:100.027277375
Topological Polar Surface Area:62.1
Heavy Atom Count:7
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methylcyanocarbamate

CAS No.: 21729-98-6

Grade: industrial Grade

Content: 98%

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