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N-Cyanomethyl-N-methyl-4-nitroaniline

N-Cyanomethyl-N-methyl-4-nitroaniline structure

CAS No:
107023-66-5
Formula:
C9H9N3O2
Chemical Name:
N-Cyanomethyl-N-methyl-4-nitroaniline
Synonyms:
2-(N-methyl-4-nitroanilino)acetonitrile; N-CyanoMethyl-N-Methyl-4-nitroaniline;

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N-Cyanomethyl-N-methyl-4-nitroaniline Basic Attributes

Molecular Weight：

191.18700

Exact Mass：

191.069476538

DSSTox ID：

DTXSID40601030

HScode：

2926909090

Characteristics

PSA：

72.85000

XLogP3：

2.07778

Density：

1.281g/cm3

Boiling Point：

379.3ºC at 760 mmHg

Flash Point：

183.2ºC

Refractive Index：

1.609

Vapor Pressure：

5.91E-06mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:191.19
XLogP3:2.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:191.069476538
Monoisotopic Mass:191.069476538
Topological Polar Surface Area:72.8
Heavy Atom Count:14
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-Cyanomethyl-N-methyl-4-nitroaniline

Basic Attributes
Characteristics
Safety Information
Computed Properties

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