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3-(1,4-diazepan-1-ylmethyl)benzonitrile

3-(1,4-diazepan-1-ylmethyl)benzonitrile structure

CAS No:
500878-94-4
Formula:
C13H17N3
Chemical Name:
3-(1,4-diazepan-1-ylmethyl)benzonitrile
Synonyms:
3-(1,4-diazepan-1-ylmethyl)benzonitrile;CTK7C8480;KS-00001NS6;ZINC19366970;AKOS000143867;3-[(1,4-diazepan-1-yl)methyl]benzonitrile

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3-(1,4-diazepan-1-ylmethyl)benzonitrile Basic Attributes

Molecular Weight：

215.29418

Exact Mass：

215.142

Characteristics

PSA：

39.1

XLogP3：

1.2

Computed Properties

Molecular Weight:215.29
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:215.142247555
Monoisotopic Mass:215.142247555
Topological Polar Surface Area:39.1
Heavy Atom Count:16
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1,4-diazepan-1-ylmethyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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