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2-[(Cyanomethyl-amino)-methyl]-benzonitrile

2-[(Cyanomethyl-amino)-methyl]-benzonitrile structure

CAS No:
1263281-47-5
Formula:
C10H9N3
Chemical Name:
2-[(Cyanomethyl-amino)-methyl]-benzonitrile
Synonyms:
2-[(Cyanomethyl-amino)-methyl]-benzonitrile

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2-[(Cyanomethyl-amino)-methyl]-benzonitrile Basic Attributes

Molecular Weight：

171

Exact Mass：

171.08000

DSSTox ID：

DTXSID70677566

HScode：

2926909090

Characteristics

PSA：

59.61000

XLogP3：

1.56236

Density：

1.13±0.1 g/cm3(Predicted)

Boiling Point：

363.3±22.0 °C(Predicted)

Computed Properties

Molecular Weight:171.20
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:171.079647300
Monoisotopic Mass:171.079647300
Topological Polar Surface Area:59.6
Heavy Atom Count:13
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(Cyanomethyl-amino)-methyl]-benzonitrile

Basic Attributes
Characteristics
Computed Properties

2-[(Cyanomethyl-amino)-methyl]-benzonitrile

SDS

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