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3-Ethylhexahydro-1-methyl-2H-azepin-2-one

3-Ethylhexahydro-1-methyl-2H-azepin-2-one structure

CAS No:
59891-41-7
Formula:
C9H17NO
Chemical Name:
3-Ethylhexahydro-1-methyl-2H-azepin-2-one
Synonyms:
2H-Azepin-2-one,3-ethylhexahydro-1-methyl-;3-Ethylhexahydro-1-methyl-2H-azepin-2-one;3-Ethyl-1-methylazepan-2-one

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3-Ethylhexahydro-1-methyl-2H-azepin-2-one Basic Attributes

Molecular Weight：

155.23700

Exact Mass：

155.24

EC Number：

261-974-2

Characteristics

PSA：

20.31000

XLogP3：

1.59280

Density：

0.916g/cm3

Boiling Point：

110-111 °C @ Press: 28 Torr

Flash Point：

108.2ºC

Refractive Index：

1.448

Computed Properties

Molecular Weight:155.24
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:155.131014166
Monoisotopic Mass:155.131014166
Topological Polar Surface Area:20.3
Heavy Atom Count:11
Complexity:145
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethylhexahydro-1-methyl-2H-azepin-2-one

Basic Attributes
Characteristics
Computed Properties

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