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3-Phenylpiperazin-2-one

3-Phenylpiperazin-2-one structure

CAS No:
5368-28-5
Formula:
C10H12N2O
Chemical Name:
3-Phenylpiperazin-2-one
Synonyms:
3-Phenylpiperazin-2-one;3-phenyl-2-piperazinone;MLS002693691;2(1H)-Pyrazinone, 3-phenyl-;3-Phenyl-piperazin-2-one;NSC70401;3-Phenyl-2-piperazinene;3-Phenyl-2-oxopiperazine;3-Phenylpiperazine-2-one;2-Piperazinone,3-phenyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Phenylpiperazin-2-one Basic Attributes

Molecular Weight：

176.219

Exact Mass：

176.094955

NSC Number：

70401

DSSTox ID：

DTXSID80290689

HScode：

2933599090

Characteristics

PSA：

41.1

XLogP3：

-0.51

Density：

1.1±0.1 g/cm3

Boiling Point：

397.7±42.0 °C at 760 mmHg

Flash Point：

182.5±28.0 °C

Refractive Index：

1.537

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:176.21
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.094963011
Monoisotopic Mass:176.094963011
Topological Polar Surface Area:41.1
Heavy Atom Count:13
Complexity:187
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Phenylpiperazin-2-one

CAS No.: 5368-28-5

Grade: industrial Grade

Content: 98%

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