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CAS 799796-66-0

Chemistry, 1 End Use API, 15 Related Intermediates

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Also known as: 799796-66-0, 1-methyl-2-oxo-3-phenylpiperazine, Piperazinone, 1-methyl-3-phenyl- (9ci), Schembl6068770, Dtxsid10461209, Ghforxsvfvcfsn-uhfffaoysa-n

Molecular Formula

C₁₁H₁₄N₂O

Molecular Weight

190.24 g/mol

InChI Key

GHFORXSVFVCFSN-UHFFFAOYSA-N

1 2D Structure

CAS 799796-66-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methyl-3-phenylpiperazin-2-one

2.1.2 InChI

InChI=1S/C11H14N2O/c1-13-8-7-12-10(11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3

2.1.3 InChI Key

GHFORXSVFVCFSN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCNC(C1=O)C2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 799796-66-0

2. 1-methyl-2-oxo-3-phenylpiperazine

3. Piperazinone, 1-methyl-3-phenyl- (9ci)

4. Schembl6068770

5. Dtxsid10461209

6. Ghforxsvfvcfsn-uhfffaoysa-n

7. 1-methyl(phenyl)-piperazin-2-one

8. Piperazinone, 1-methyl-3-phenyl-

9. Cs-b1169

10. Piperazinone,1-methyl-3-phenyl-(9ci)

11. Db-277788

12. En300-6766510

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄N₂O
Molecular Weight	190.24 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.3
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

1-(3-carboxypyridil-2-)-4-methyl-2-phenylpiperazine

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CAS Number

61338-13-4

End Use API

MENADIONA is an independent privately-owned company, founded in 1970. Ever since, the company has been in...

MENADIONA is an independent privately-owned company, founded in 1970. Ever since, the company has been involved in manufacturing active ingredients (APIs) and key intermediates for the Pharmaceutical, Veterinary, Plant Health and Nutraceutical industries. In addition, Aziridine and its derivatives is one of the most outstanding business units for MENADIONA. Besides, we offer custom and contract manufacturing services through our Fine Chemical Division. With a highly qualified team and two manufacturing plants in Spain, MENADIONA is characterized by its strong worldwide export volume, which accounts for more than 80% of its sales.

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