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4-Methyl-β-oxo-1-piperazinepropanenitrile

4-Methyl-β-oxo-1-piperazinepropanenitrile structure

CAS No:
15029-34-2
Formula:
C8H13N3O
Chemical Name:
4-Methyl-β-oxo-1-piperazinepropanenitrile
Synonyms:
1-Piperazinepropanenitrile,4-methyl-β-oxo-;Piperazine,1-(cyanoacetyl)-4-methyl-;4-Methyl-β-oxo-1-piperazinepropanenitrile

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4-Methyl-β-oxo-1-piperazinepropanenitrile Basic Attributes

Molecular Weight：

167.20800

Exact Mass：

167.21

DSSTox ID：

DTXSID00368192

HScode：

2933599090

Characteristics

PSA：

47.34000

XLogP3：

-0.45012

Melting Point：

113-114 °C @ Solvent: Cyclohexane

Boiling Point：

335ºC

Flash Point：

153.7ºC

Refractive Index：

1.5

Vapor Pressure：

0.000165mmHg at 25°C

Computed Properties

Molecular Weight:167.21
XLogP3:-0.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:167.105862047
Monoisotopic Mass:167.105862047
Topological Polar Surface Area:47.3
Heavy Atom Count:12
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methyl-β-oxo-1-piperazinepropanenitrile

Basic Attributes
Characteristics
Computed Properties

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