4CH-012331

Chemistry, 2 End Use API, 26 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 207226-02-6, 3-ethynylbenzenamine hydrochloride, 3-ethynylaniline hcl, Benzenamine, 3-ethynyl-, hydrochloride, 3-ethynylaniline;hydrochloride, Benzenamine, 3-ethynyl-, hydrochloride (1:1)

Molecular Formula

C₈H₈ClN

Molecular Weight

153.61 g/mol

InChI Key

CUNYDQJCQAWKLK-UHFFFAOYSA-N

FDA UNII

N854PSB3VU

1 2D Structure

4CH-012331

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-ethynylaniline;hydrochloride

2.1.2 InChI

InChI=1S/C8H7N.ClH/c1-2-7-4-3-5-8(9)6-7;/h1,3-6H,9H2;1H

2.1.3 InChI Key

CUNYDQJCQAWKLK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C#CC1=CC(=CC=C1)N.Cl

2.2 Other Identifiers

2.2.1 UNII

N854PSB3VU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 207226-02-6

2. 3-ethynylbenzenamine Hydrochloride

3. 3-ethynylaniline Hcl

4. Benzenamine, 3-ethynyl-, Hydrochloride

5. 3-ethynylaniline;hydrochloride

6. Benzenamine, 3-ethynyl-, Hydrochloride (1:1)

7. N854psb3vu

8. Mfcd12913913

9. 3-aminophenylacetylene Hcl

10. 3-ethynylaniline,hydrochloride

11. 3-ethynylanilinehydrochloride

12. 3-aminophenylacetylene Hydrochloride

13. 3-ethynylbenzenamine Hcl

14. Unii-n854psb3vu

15. Schembl1507576

16. Dtxsid70596526

17. Amy14292

18. Bcp09426

19. Akos015890563

20. Cs-w006161

21. Ds-5694

22. Fd16021

23. Ac-29720

24. Sy046492

25. 3-ethynylaniline--hydrogen Chloride (1/1)

26. A879477

27. J-013610

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClN
Molecular Weight	153.61 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	153.0345270 g/mol
Monoisotopic Mass	153.0345270 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131
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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3-Ethynylbenzenamine hydrochloride

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CAS Number

207226-02-6

End Use API

Erlotinib

About the Company

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved ...

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved by US FDA. According to EU and US FDA's requirement, we supply following APIs and their intermediates with good quality and competitive price: Aztreonam,Doripenem, Dronedarone Hcl ,Erlotinib HCL, Febuxostat,Gemcitabine HCL, Ivabradine, Imatinib mesylate, Mecobalamin,Moxifloxacin, Nelarabine,Pemetrexed disodium, Posaconazole, Temozolomide, Voriconazole, Tebipenem pivoxil.NOTE: Products covered by valid patents in any country are not offered or supplied to these countries for commercial purpose.

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