Ningbo Chemgoo Pharma Tech

CAS 4102-53-8

Chemistry, 2 End Use API, 5 Related Intermediates

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2 Suppliers

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Also known as: 4102-53-8, 2,6-dimethyl-4-iodoaniline, Benzenamine, 4-iodo-2,6-dimethyl-, 4-iodo-2,6-dimethylbenzenamine, Mfcd08061611, Nsc-128900

Molecular Formula

C₈H₁₀IN

Molecular Weight

247.08 g/mol

InChI Key

BJJSUOOEBCCLNY-UHFFFAOYSA-N

FDA UNII

DBC8AYX76Q

1 2D Structure

CAS 4102-53-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-iodo-2,6-dimethylaniline

2.1.2 InChI

InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3

2.1.3 InChI Key

BJJSUOOEBCCLNY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1N)C)I

2.2 Other Identifiers

2.2.1 UNII

DBC8AYX76Q

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4102-53-8

2. 2,6-dimethyl-4-iodoaniline

3. Benzenamine, 4-iodo-2,6-dimethyl-

4. 4-iodo-2,6-dimethylbenzenamine

5. Mfcd08061611

6. Nsc-128900

7. Nsc128900

8. Dbc8ayx76q

9. 2,6-xylidine, 4-iodo-

10. Schembl106150

11. 4-iodo-2,6-dimethyl Benzenamine

12. Dtxsid00299250

13. Cs-m3088

14. Akos015889977

15. Ac-1378

16. Nsc 128900

17. As-17338

18. Sy035113

19. Db-024418

20. A825404

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀IN
Molecular Weight	247.08 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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	1

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CAS Number

5637-42-3

End Use API

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.

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