CAS 1653-16-3

Chemistry, 2 End Use API, 2 Related Intermediates

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Also known as: 1653-16-3, 3-(iodomethyl)heptane, Heptane, 3-(iodomethyl)-, 2-ethyl-1-iodohexane, 2-ethylhexyliodide, Einecs 216-720-5

Molecular Formula

C₈H₁₇I

Molecular Weight

240.12 g/mol

InChI Key

WNPGSEJRPYSCDQ-UHFFFAOYSA-N

1 2D Structure

CAS 1653-16-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(iodomethyl)heptane

2.1.2 InChI

InChI=1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

2.1.3 InChI Key

WNPGSEJRPYSCDQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC(CC)CI

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1653-16-3

2. 3-(iodomethyl)heptane

3. Heptane, 3-(iodomethyl)-

4. 2-ethyl-1-iodohexane

5. 2-ethylhexyliodide

6. Einecs 216-720-5

7. Starbld0009825

8. 2-ethylhexyl Iodide, 97%

9. Schembl868002

10. Dtxsid10883705

11. Akos009156712

12. Db-043613

13. Ft-0633735

14. J-802083

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₇I
Molecular Weight	240.12 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	240.03750 g/mol
Monoisotopic Mass	240.03750 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	52.5
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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PMC Isochem

PMC Isochem is your partner for smart CDMOs of Intermediates, APIs, & excipients & a catalog of Intermediates & Generic APIs.

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3-(S)-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)-1,...

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CAS Number

149182-72-9

End Use API

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.

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Berr Chemical Company Ltd

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(3S,4aS,8aS)-N-tert-butyldecahydroisoquinoline-3-carbox...

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CAS Number

136465-81-1

End Use API

Nelfinavir

About the Company

Berr Chemical Company Ltd is a high-tech enterprise engaged in Pharmaceuctials; azepan products;Pyrimidin...

Berr Chemical Company Ltd is a high-tech enterprise engaged in Pharmaceuctials; azepan products;Pyrimidine products;Piperazines products;Pyridine products;Piperidine products;Catalysts and Phosphorous products;Boronic;Chiral compounds;Fluoro Compounds;Imidazo Derivatives;Indazole Derivatives;Indole Derivatives;Naphthalene Derivatives;Quinolin Derivatives; organic functional materials ect. It mainly deals with the R&D of new product, distribution, vendor relationship management, product manufacture and trade.Berrchem is committed to serving the domestic and foreign pharmaceutical companies, research institutions, university laboratories.

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