Close
4
FDA-DMF-Filings-in-2019
X

Overview of CAS 207226-02-6

Client Email Product
4CH-012331
PharmaCompass
4CH-012331
Also known as: 207226-02-6, 3-ethynylbenzenamine hydrochloride, 3-ethynylaniline hcl, Benzenamine, 3-ethynyl-, hydrochloride, Ak119642, 3-aminophenylacetylene hcl
Molecular Formula
C8H8ClN
Molecular Weight
153.609  g/mol
InChI Key
CUNYDQJCQAWKLK-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 207226-02-6

2. 3-ethynylbenzenamine Hydrochloride

3. 3-ethynylaniline Hcl

4. Benzenamine, 3-ethynyl-, Hydrochloride

5. Ak119642

6. 3-aminophenylacetylene Hcl

7. 3-aminophenylacetylene Hydrochloride

8. C8h7n.hcl

9. 3-ethynylanilinehydrochloride

10. Ksc005q2r

11. Schembl1507576

12. Ctk9a5828

13. Dtxsid70596526

14. Cunydqjcqawklk-uhfffaoysa-n

15. Molport-020-007-840

16. Ks-00000r1o

17. Mfcd12913913

18. Akos015890563

19. Cs-w006161

20. Ds-5694

21. Or153631

22. Sc-88382

23. 3-ethynylaniline--hydrogen Chloride (1/1)

24. Ab0034101

25. Ax8245058

26. Kb-236005

27. St2417693

28. 4ch-012331

29. X8201

30. I01-7554

31. J-013610

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 153.609 g/mol
Molecular Formula C8H8ClN
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass153.035 g/mol
Monoisotopic Mass153.035 g/mol
Topological Polar Surface Area26 A^2
Heavy Atom Count10
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us