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3-Amino-1-phenyl-2-buten-1-one

3-Amino-1-phenyl-2-buten-1-one structure

CAS No:
1128-85-4
Formula:
C10H11NO
Chemical Name:
3-Amino-1-phenyl-2-buten-1-one
Synonyms:
3-amino-1-phenyl-2-buten-1-one;(2Z)-3-amino-1-phenylbut-2-en-1-one;23652-90-6;(Z)-3-amino-1-phenyl-2-buten-1-one;(Z)-3-amino-1-phenylbut-2-en-1-one;Crotonophenone, 3-amino-;6R-0626;1-benzoyl-2-amino-1-propene;2-Buten-1-one, 3-amino-1-phenyl-

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3-Amino-1-phenyl-2-buten-1-one Basic Attributes

Molecular Weight：

161.204

Exact Mass：

161.084

NSC Number：

255240

DSSTox ID：

DTXSID00420608

HScode：

2922399090

Characteristics

PSA：

43.1

XLogP3：

2.1

Density：

1.067±0.06 g/cm3(Predicted)

Melting Point：

60-62 °C(Solv: chloroform (67-66-3))

Boiling Point：

264.2±32.0 °C(Predicted)

Flash Point：

113.6ºC

Refractive Index：

1.561

Vapor Pressure：

0.00984mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-amino-1-phenyl-2-buten-1-one

Computed Properties

Molecular Weight:161.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:43.1
Heavy Atom Count:12
Complexity:190
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Amino-1-phenyl-2-buten-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

3-Amino-1-phenyl-2-buten-1-one

SDS

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