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2-Piperazinecarbonitrile

2-Piperazinecarbonitrile structure

CAS No:
187589-36-2
Formula:
C5H9N3
Chemical Name:
2-Piperazinecarbonitrile
Synonyms:
2-Piperazinecarbonitrile;2-Cyanopiperazine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Piperazinecarbonitrile Basic Attributes

Molecular Weight：

111.14506

Exact Mass：

111.15

DSSTox ID：

DTXSID40431056

HScode：

2933599090

Characteristics

PSA：

47.8

XLogP3：

-1

Density：

1.08g/cm3

Boiling Point：

272ºC at 760mmHg

Flash Point：

118.3ºC

Computed Properties

Molecular Weight:111.15
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:111.079647300
Monoisotopic Mass:111.079647300
Topological Polar Surface Area:47.8
Heavy Atom Count:8
Complexity:112
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes