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CAS 230615-52-8 manufacturers and suppliers on PharmaCompass

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CAS 230615-52-8
Also known as: 230615-52-8, 2,3,4,5-tetrahydro-1h-1,5-methano-3-benzazepine hydrochloride, 2,3,4,5-tetrahydro-1,5-methano-1h-3-benzazepine hydrochloride, 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride, Schembl1972897, Dtxsid90945739
Molecular Formula
C11H14ClN
Molecular Weight
195.69  g/mol
InChI Key
WWJDLIUDQHFAGC-UHFFFAOYSA-N

1 2D Structure

CAS 230615-52-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride
2.1.2 InChI
InChI=1S/C11H13N.ClH/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1;/h1-4,8-9,12H,5-7H2;1H
2.1.3 InChI Key
WWJDLIUDQHFAGC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C2CNCC1C3=CC=CC=C23.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 230615-52-8

2. 2,3,4,5-tetrahydro-1h-1,5-methano-3-benzazepine Hydrochloride

3. 2,3,4,5-tetrahydro-1,5-methano-1h-3-benzazepine Hydrochloride

4. 10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;hydrochloride

5. Schembl1972897

6. Dtxsid90945739

7. Cs-b0003

8. Mfcd11042279

9. Mfcd20278229

10. Akos015900744

11. Ds-3967

12. Sy041569

13. Db-013949

14. Ft-0701610

15. W-201964

16. 2,3,4,5-tetrahydro-1,5-methano-1h-3-benzazepine Hcl

17. 2,3,4,5-tetrahydro-1h-1,5-methanobenzo[d]azepinehydrochloride

18. 1,5-methano-1h-3-benzazepine,2,3,4,5-tetrahydro-, Hydrochloride

19. 10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene Hydrochloride Salt

20. 10-aza-tricyclo[6.3.1.02.7]dodeca-2(7),3,5-triene Hydrochloride Salt

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 195.69 g/mol
Molecular Formula C11H14ClN
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.0814771 g/mol
Monoisotopic Mass195.0814771 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count13
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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