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Azepan-4-one

Azepan-4-one structure

CAS No:
105416-56-6
Formula:
C6H11NO
Chemical Name:
Azepan-4-one
Synonyms:
Azepan-4-one;4H-AZEPIN-4-ONE, HEXAHYDRO-;F2173-0036;4-oxohomopiperidine;4-perhydroazepinone;azepan-4-one, AldrichCPR;hexahydro-4 H-azepin-4-one;4H-Azepin-4-one,hexahydro-;SCHEMBL165593;AZE002

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Azepan-4-one Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.084061

DSSTox ID：

DTXSID70363553

HScode：

2933990090

Characteristics

PSA：

29.1

XLogP3：

-0.35

Density：

0.969±0.06 g/cm3(Predicted)

Boiling Point：

198.4±23.0 °C(Predicted)

Flash Point：

91.7±22.8 °C

Refractive Index：

1.446

Safety Information

hazard class code：

37/38-41

safety instructions：

26-39

Marks：

Computed Properties

Molecular Weight:113.16
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:29.1
Heavy Atom Count:8
Complexity:90.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Azepan-4-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

Azepan-4-one

SDS

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