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5-NITRO-2-PIPERIDINOBENZENECARBONITRILE

5-NITRO-2-PIPERIDINOBENZENECARBONITRILE structure

CAS No:
32188-75-3
Formula:
C12H13N3O2
Chemical Name:
5-NITRO-2-PIPERIDINOBENZENECARBONITRILE
Synonyms:
5-NITRO-2-PIPERIDINOBENZENECARBONITRILE;5-Nitro-2-piperidin-1-ylbenzonitrile;5-nitro-2-(1-piperidinyl)Benzonitrile;5-Nitro-2-(piperidin-1-yl);Benzonitrile, 5-nitro-2-(1-piperidinyl)-

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5-NITRO-2-PIPERIDINOBENZENECARBONITRILE Basic Attributes

Molecular Weight：

231.25

Exact Mass：

231.100776666

DSSTox ID：

DTXSID40406582

Characteristics

Density：

1.27±0.1 g/cm3

Melting Point：

56-59

Boiling Point：

414.9±40.0 °C(Predicted)

PKA：

-0.15±0.40

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:231.25
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:231.100776666
Monoisotopic Mass:231.100776666
Topological Polar Surface Area:72.8
Heavy Atom Count:17
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-NITRO-2-PIPERIDINOBENZENECARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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