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3-Methyl-piperazin-2-one

3-Methyl-piperazin-2-one structure

CAS No:
23936-11-0
Formula:
C5H10N2O
Chemical Name:
3-Methyl-piperazin-2-one
Synonyms:
Piperazinone, 3-Methyl-;3-Methyl-2-ketopiperazine >=97.0% (GC);>=97.0% (GC);3-METHYL-PIPERAZIN-2-ONE;Dimethyltetrathiafulvalene>2-Dimethylaminoethyl Benzoate >3'-Chloroacetophenone >Benzyl Glycidyl Ether >
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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3-Methyl-piperazin-2-one Basic Attributes

Molecular Weight：

114.15

Exact Mass：

114.079312947

DSSTox ID：

DTXSID00408401

HScode：

2933599090

Characteristics

PSA：

41.13000

XLogP3：

-0.24810

Density：

0.992±0.06 g/cm3

Melting Point：

57-59 °C

Boiling Point：

97-99 °C(Press: 0.3 Torr)

Flash Point：

148.7ºC

Refractive Index：

1.434

Vapor Pressure：

0.00217mmHg at 25°C

PKA：

15.51±0.40

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36-43

safety instructions：

26-36/37

Marks：

GHS Classification：

|Danger|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:114.15
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:114.079312947
Monoisotopic Mass:114.079312947
Topological Polar Surface Area:41.1
Heavy Atom Count:8
Complexity:103
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes