CAS 312753-53-0

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2 End Use APIs
8 Related Intermediates

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Chemistry

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Also known as: 312753-53-0, 5,6-diethylindan-1-one, 5,6-diethyl-2,3-dihydro-1h-inden-2-amine;hydrochloride, 5,6-diethyl-2,3-dihydro-1h-inden-2-amine, hcl, Mfcd13185940, 2-amino-5,6-diethyl-2,3-dihydro-1h-indene hcl

Molecular Formula

C₁₃H₂₀ClN

Molecular Weight

225.76 g/mol

InChI Key

ZOVIYWYFBOQKIA-UHFFFAOYSA-N

1 2D Structure

CAS 312753-53-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5,6-diethyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

2.1.2 InChI

InChI=1S/C13H19N.ClH/c1-3-9-5-11-7-13(14)8-12(11)6-10(9)4-2;/h5-6,13H,3-4,7-8,14H2,1-2H3;1H

2.1.3 InChI Key

ZOVIYWYFBOQKIA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(C=C2CC(CC2=C1)N)CC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 312753-53-0

2. 5,6-diethylindan-1-one

3. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine;hydrochloride

4. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine, Hcl

5. Mfcd13185940

6. 2-amino-5,6-diethyl-2,3-dihydro-1h-indene Hcl

7. 2-amino-5,6-diethylindane Hydrochloride

8. Schembl866127

9. 5,6-diethyl-2,3-dihydro-1h-inden-2-aminehydrochloride

10. Dtxsid30437042

11. Bcp04728

12. Akos015924667

13. Cs-w020205

14. Sb18035

15. Ac-24698

16. Da-18293

17. Ds-17728

18. Sy107784

19. 5,6-diethyl-indan-2-ylamine Hydrochloride

20. Ft-0686954

21. 5,6-diethyl-2,3-dihydro-1h-inden-2-amine Hcl

22. 753d530

23. A846477

24. J-516521

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀ClN
Molecular Weight	225.76 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.1284273 g/mol
Monoisotopic Mass	225.1284273 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	170
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