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2-(4-methyl-1,4-diazepan-1-yl)benzonitrile

2-(4-methyl-1,4-diazepan-1-yl)benzonitrile structure

CAS No:
204078-93-3
Formula:
C13H17N3
Chemical Name:
2-(4-methyl-1,4-diazepan-1-yl)benzonitrile

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2-(4-methyl-1,4-diazepan-1-yl)benzonitrile Basic Attributes

Molecular Weight：

215.29400

Exact Mass：

215.142247555

DSSTox ID：

DTXSID00632628

HScode：

2933990090

Characteristics

PSA：

30.27000

XLogP3：

1.70308

Density：

1.11g/cm3

Boiling Point：

359.9ºC

Flash Point：

155.1ºC

Refractive Index：

1.587

Vapor Pressure：

2.3E-05mmHg at 25°C

Safety Information

Marks：

Computed Properties

Molecular Weight:215.29
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:215.142247555
Monoisotopic Mass:215.142247555
Topological Polar Surface Area:30.3
Heavy Atom Count:16
Complexity:268
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-methyl-1,4-diazepan-1-yl)benzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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