3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One

Modify Date: 2025-09-18 17:41:14

3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One Structure
3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One structure
Common Name 3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One
CAS Number 59891-41-7 Molecular Weight 155.23700
Density 0.916g/cm3 Boiling Point 257.1ºC at 760 mmHg
Molecular Formula C9H17NO Melting Point N/A
MSDS N/A Flash Point 108.2ºC

 Names

Name 3-ethyl-1-methylazepan-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.916g/cm3
Boiling Point 257.1ºC at 760 mmHg
Molecular Formula C9H17NO
Molecular Weight 155.23700
Flash Point 108.2ºC
Exact Mass 155.13100
PSA 20.31000
LogP 1.59280
Index of Refraction 1.448
InChIKey TWJZVJYUCAHEGB-UHFFFAOYSA-N
SMILES CCC1CCCCN(C)C1=O

 Synthetic Route

~%

3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One Structure

3-Ethylhexahydr...

CAS#:59891-41-7

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385

~%

3-Ethylhexahydro-1-Methyl-2H-Azepin-2-One Structure

3-Ethylhexahydr...

CAS#:59891-41-7

Literature: Bradley; Cavalla; Edington; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 4 p. 375 - 385

 Synonyms

3-Ethyl-N-methylhexahydroazepin-2-on
3-Ethylhexahydro-1-methyl-2H-azepin-2-one
EINECS 261-974-2
3-ethyl-1-methyl-azepan-2-one
3-ethylhexahydro-1-methyl-<1H>azepin-2-one
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