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1-(azepan-1-yl)-3-methylbut-2-en-1-one

1-(azepan-1-yl)-3-methylbut-2-en-1-one structure

CAS No:
16667-35-9
Formula:
C11H19NO
Chemical Name:
1-(azepan-1-yl)-3-methylbut-2-en-1-one
Synonyms:
1-(3-Methyl-1-oxo-2-butenyl)hexahydro-1H-azepine; 1H-AZEPINE,HEXAHYDRO-1-(3-METHYL-1-OXO-2-BUTENYL);

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1-(azepan-1-yl)-3-methylbut-2-en-1-one Basic Attributes

Molecular Weight：

181.27500

Exact Mass：

181.146664230 g/mol

DSSTox ID：

DTXSID80168152

Characteristics

PSA：

20.31000

XLogP3：

2.29310

Density：

0.956g/cm3

Boiling Point：

326ºC

Flash Point：

143.7ºC

Refractive Index：

1.484

Vapor Pressure：

0.000315mmHg at 25°C

Computed Properties

Molecular Weight:181.27
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:181.146664230
Monoisotopic Mass:181.146664230
Topological Polar Surface Area:20.3
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(azepan-1-yl)-3-methylbut-2-en-1-one

Basic Attributes
Characteristics
Computed Properties

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