CAS 35211-10-0

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Also known as: 35211-10-0, N-demethylketamine, 2-amino-2-(2-chlorophenyl)cyclohexan-1-one, 2-amino-2-(o-chlorophenyl)cyclohexanone, Xqy6jvf94x, Cyclohexanone, 2-amino-2-(2-chlorophenyl)-

Molecular Formula

C₁₂H₁₄ClNO

Molecular Weight

223.70 g/mol

InChI Key

BEQZHFIKTBVCAU-UHFFFAOYSA-N

FDA UNII

XQY6JVF94X

1 2D Structure

CAS 35211-10-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-2-(2-chlorophenyl)cyclohexan-1-one

2.1.2 InChI

InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2

2.1.3 InChI Key

BEQZHFIKTBVCAU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(C(=O)C1)(C2=CC=CC=C2Cl)N

2.2 Other Identifiers

2.2.1 UNII

XQY6JVF94X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (+--)-norketamine

2. 2-amino-2-(o-chlorophenyl)cyclohexanone

3. Dehydronorketamine

4. Dhnk

5. N-demethylketamine

6. N-desmethylketamine

7. Norketamine, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 35211-10-0

2. N-demethylketamine

3. 2-amino-2-(2-chlorophenyl)cyclohexan-1-one

4. 2-amino-2-(o-chlorophenyl)cyclohexanone

5. Xqy6jvf94x

6. Cyclohexanone, 2-amino-2-(2-chlorophenyl)-

7. N-desmethylketamine

8. (+/-)-norketamine

9. Unii-xqy6jvf94x

10. Ketamine-m Nor

11. 2-(o-chlorophenyl)-2-aminocyclohexanone

12. Chembl1039

13. Schembl3390132

14. Chebi:91519

15. Dtxsid40891434

16. Mfcd09763659

17. Norketamine (1.0mg/ml In Methanol)

18. Akos005215885

19. Ncgc00159535-01

20. 2-amino-2-(o-chlorophenyl) Cyclohexanone

21. 2-amino-2-(2-chloro-phenyl)-cyclohexanone

22. J397.916d

23. W12824

24. Brd-a10355991-003-01-8

25. Q20164391

26. 65329-10-4

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄ClNO
Molecular Weight	223.70 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	223.0763918 g/mol
Monoisotopic Mass	223.0763918 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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