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3-(Phenylamino)-2-cyclohexen-1-one

3-(Phenylamino)-2-cyclohexen-1-one structure

CAS No:
24706-50-1
Formula:
C12H13NO
Chemical Name:
3-(Phenylamino)-2-cyclohexen-1-one
Synonyms:
2-Cyclohexen-1-one,3-(phenylamino)-;2-Cyclohexen-1-one,3-anilino-;3-(Phenylamino)-2-cyclohexen-1-one;3-Anilino-2-cyclohexen-1-one;3-Phenylamino-2-cyclohexenone;NSC 166087

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Description

yellow-green fine crystalline powder

3-(Phenylamino)-2-cyclohexen-1-one Basic Attributes

Molecular Weight：

187.24

Exact Mass：

187.24

BRN：

2103381

NSC Number：

166087

DSSTox ID：

DTXSID80179445

HScode：

2922399090

Characteristics

PSA：

29.1

XLogP3：

2.80840

Appearance：

yellow-green fine crystalline powder

Density：

1.176g/cm3

Melting Point：

173-174 °C @ Solvent: Methanol

Boiling Point：

324.9ºC at 760mmHg

Flash Point：

135.6ºC

Refractive Index：

1.629

Vapor Pressure：

0.000238mmHg at 25°C

Safety Information

hazard class code：

36/37/38

safety instructions：

24/25

RTECS Number：

GW7600000

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:187.24
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.099714038
Monoisotopic Mass:187.099714038
Topological Polar Surface Area:29.1
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Phenylamino)-2-cyclohexen-1-one

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(Phenylamino)-2-cyclohexen-1-one

SDS

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