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CAS 855778-84-6

CAS 855778-84-6

Chemistry, 1 End Use API, 4 Related Intermediates

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CAS 855778-84-6

Also known as: 855778-84-6, Schembl2209444, Bapaubkdzoewjl-uhfffaoysa-n, E72264, 3-(piperidin-4-yl)quinolin-2(1h)-one-hydrochloride, 3-(4-piperidinyl)-2(1h)-quinolinone hydrochloride

Molecular Formula

C₁₄H₁₇ClN₂O

Molecular Weight

264.75 g/mol

InChI Key

BAPAUBKDZOEWJL-UHFFFAOYSA-N

1 2D Structure

CAS 855778-84-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-piperidin-4-yl-1H-quinolin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C14H16N2O.ClH/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14;/h1-4,9-10,15H,5-8H2,(H,16,17);1H

2.1.3 InChI Key

BAPAUBKDZOEWJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C2=CC3=CC=CC=C3NC2=O.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 855778-84-6

2. Schembl2209444

3. Bapaubkdzoewjl-uhfffaoysa-n

4. E72264

5. 3-(piperidin-4-yl)quinolin-2(1h)-one-hydrochloride

6. 3-(4-piperidinyl)-2(1h)-quinolinone Hydrochloride

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇ClN₂O
Molecular Weight	264.75 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.1
Heavy Atom Count	18
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Porton Pharma Solutions

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CAS Number

855778-84-6

Intermediate Name

3-(piperidin-4-yl)quinolin-2(1H)-on...

About the Company

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

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