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1-Ethyl-4-piperidinone

1-Ethyl-4-piperidinone structure

CAS No:
3612-18-8
Formula:
C7H13NO
Chemical Name:
1-Ethyl-4-piperidinone
Synonyms:
4-Piperidinone,1-ethyl-;4-Piperidone,1-ethyl-;1-Ethyl-4-piperidinone;1-Ethyl-4-piperidone;N-Ethyl-4-piperidone;1-Ethyl-4-oxopiperidine;1-Ethylpiperidine-4-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow to brown viscous liquid

1-Ethyl-4-piperidinone Basic Attributes

Molecular Weight：

127.18

Exact Mass：

127.18

EC Number：

222-781-9

UNII：

NDD4A44NG2

DSSTox ID：

DTXSID70189694

HScode：

29333990

Characteristics

PSA：

20.3

XLogP3：

0.18

Appearance：

clear to yellowish liquid

Density：

1.0±0.1 g/cm3

Melting Point：

45-47 °C

Boiling Point：

46-48 °C @ Press: 1 Torr

Flash Point：

156 °F

Refractive Index：

1.461

Water Solubility：

Miscible in water.

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

34-36/37/38

safety instructions：

45-36/37/39-26-36

Marks：

C,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H227 (50%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:127.18
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:20.3
Heavy Atom Count:9
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes