CAS 1431697-94-7

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 1431697-94-7, 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride, 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine hydrochloride, 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride), Schembl1954700, Bcp34511

Molecular Formula

C₁₁H₁₅Cl₂N

Molecular Weight

232.15 g/mol

InChI Key

ITIHHRMYZPNGRC-UHFFFAOYSA-N

1 2D Structure

CAS 1431697-94-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

2.1.2 InChI

InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H

2.1.3 InChI Key

ITIHHRMYZPNGRC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CNCCC2=C1C=C(C=C2)Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1431697-94-7

2. 7-chloro-5-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine;hydrochloride

3. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

4. 8-chloro-1-methyl-2,3,4,5-tetrahydro-1h-benzo[d]azepine (hydrochloride)

5. Schembl1954700

6. Bcp34511

7. Cs-m1649

8. Cs-m3407

9. Akos022186457

10. Ac-28979

11. Da-33432

12. 8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hcl

13. Rs Lorcaserin Hydrochloride;dl-lorcaserin Hcl;8-chloro-2,3,4,5-tetrahydro-1-methyl-1h-3-benzazepine Hydrochloride

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅Cl₂N
Molecular Weight	232.15 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	231.0581549 g/mol
Monoisotopic Mass	231.0581549 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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	2

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8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine h...

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CAS Number

CAS-1431697-94-7

End Use API

Lorcaserin HCl

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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