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1-methylpiperidin-3-one

1-methylpiperidin-3-one structure

CAS No:
5519-50-6
Formula:
C6H11NO
Chemical Name:
1-methylpiperidin-3-one
Synonyms:
1-Methyl-3-piperidone;1-Methyl-3-piperidinone;N-Methyl-3-piperidinone;3-Piperidinone, 1-methyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-methylpiperidin-3-one Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.084061

DSSTox ID：

DTXSID30203688

HScode：

2933399090

Characteristics

PSA：

20.3

XLogP3：

-0.32

Density：

1.0±0.1 g/cm3

Boiling Point：

165.1±33.0 °C at 760 mmHg

Flash Point：

49.2±15.0 °C

Refractive Index：

1.464

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:113.16
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:20.3
Heavy Atom Count:8
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes