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1-Benzoyl-4-piperidone

1-Benzoyl-4-piperidone structure

CAS No:
24686-78-0
Formula:
C12H13NO2
Chemical Name:
1-Benzoyl-4-piperidone
Synonyms:
4-Piperidinone,1-benzoyl-;4-Piperidone,1-benzoyl-;1-Benzoyl-4-piperidinone;N-Benzoyl-4-piperidone;1-Benzoyl-4-piperidone;1-Benzoyl-4-oxopiperidine;NSC 97564
Categories:
Surfactant > Industrial Surfactant

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1-Benzoyl-4-piperidone Basic Attributes

Molecular Weight：

203.23700

Exact Mass：

203.24

EC Number：

246-407-9

NSC Number：

97564

DSSTox ID：

DTXSID80179425

Characteristics

PSA：

37.38000

XLogP3：

1.42960

Appearance：

powder

Density：

1.188 g/cm3

Melting Point：

49-52 °C

Boiling Point：

158-160 °C @ Press: 0.2 Torr

Flash Point：

>230 °F

Refractive Index：

1.573

Vapor Pressure：

9.9E-07mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

S24/25

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, 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:203.24
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:37.4
Heavy Atom Count:15
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes