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CAS 911705-40-3

Chemistry, 1 End Use API, 15 Related Intermediates

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Also known as: 911705-40-3, 3-oxo-2-phenyl-piperazine-1-carboxylic acid tert-butyl ester, Schembl2539220, 1-boc-3-oxo-2-phenylpiperazine, Xwyogpgttfwzap-uhfffaoysa-n, Cs-d0486

Molecular Formula

C₁₅H₂₀N₂O₃

Molecular Weight

276.33 g/mol

InChI Key

XWYOGPGTTFWZAP-UHFFFAOYSA-N

1 2D Structure

CAS 911705-40-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 3-oxo-2-phenylpiperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-9-16-13(18)12(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,18)

2.1.3 InChI Key

XWYOGPGTTFWZAP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1C2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 911705-40-3

2. 3-oxo-2-phenyl-piperazine-1-carboxylic Acid Tert-butyl Ester

3. Schembl2539220

4. 1-boc-3-oxo-2-phenylpiperazine

5. Xwyogpgttfwzap-uhfffaoysa-n

6. Cs-d0486

7. Mfcd28579819

8. Akos027255478

9. As-68179

10. W10309

11. Tert-butyl3-oxo-2-phenylpiperazine-1-carboxylate

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₀N₂O₃
Molecular Weight	276.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.6
Heavy Atom Count	20
Formal Charge	0
Complexity	370
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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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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