Rampex Labs

CAS 661489-23-2

Chemistry, 1 End Use API, 6 Related Intermediates

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Also known as: 661489-23-2, (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile hcl, (e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride, (e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile hydrochloride, Schembl12492574, Schembl12492576

Molecular Formula

C₁₁H₁₃ClN₂

Molecular Weight

208.69 g/mol

InChI Key

DHBOHGCHPDMVOD-BJILWQEISA-N

1 2D Structure

CAS 661489-23-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride

2.1.2 InChI

InChI=1S/C11H12N2.ClH/c1-8-6-10(4-3-5-12)7-9(2)11(8)13;/h3-4,6-7H,13H2,1-2H3;1H/b4-3+;

2.1.3 InChI Key

DHBOHGCHPDMVOD-BJILWQEISA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1N)C)C=CC#N.Cl

2.1.5 Isomeric SMILES

CC1=CC(=CC(=C1N)C)/C=C/C#N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 661489-23-2

2. (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrile Hcl

3. (e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile;hydrochloride

4. (e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile Hydrochloride

5. Schembl12492574

6. Schembl12492576

7. Dtxsid50738205

8. (e)-3-(4-amino-3,5-dimethylphenyl)acrylonitrilehydrochloride

9. Bcp12734

10. (2e)-3-(4-amino-3,5-dimethylphenyl)-2-propenenitrile Hydrochloride

11. Mfcd18711816

12. Akos016008808

13. Ds-4603

14. Cs-0153727

15. A867517

16. J-501907

17. (2e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile Hydrochloride

18. (2e)-3-(4-amino-3,5-dimethylphenyl)prop-2-enenitrile--hydrogen Chloride (1/1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃ClN₂
Molecular Weight	208.69 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	208.0767261 g/mol
Monoisotopic Mass	208.0767261 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

CAS-4102-53-8

End Use API

Rilpivirine

About the Company

We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of...

We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations starting initially by outsourcing our production. In January 2008, our own production became operational and our journey really began. From our inception, we have strived to be the best and work with the best. Our client list comprises of some of the leading API producers within India and abroad. We at Rampex strongly believe that commitment to quality and timely deliveries ensure a very smooth working relationship with all our customers.

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