CAS 1110772-05-8

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Also known as: 1110772-05-8, 124555-42-6, Cis-(3-amino)cyclopentanol, Cis-3-aminocyclopentanol, (1r,3s)-3-amino-cyclopentanol, (1r,3s)-3-aminocyclopentan-1-ol

Molecular Formula

C₅H₁₁NO

Molecular Weight

101.15 g/mol

InChI Key

YHFYRVZIONNYSM-CRCLSJGQSA-N

1 2D Structure

CAS 1110772-05-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,3S)-3-aminocyclopentan-1-ol

2.1.2 InChI

InChI=1S/C5H11NO/c6-4-1-2-5(7)3-4/h4-5,7H,1-3,6H2/t4-,5+/m0/s1

2.1.3 InChI Key

YHFYRVZIONNYSM-CRCLSJGQSA-N

2.1.4 Canonical SMILES

C1CC(CC1N)O

2.1.5 Isomeric SMILES

C1C[C@H](C[C@H]1N)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1110772-05-8

2. 124555-42-6

3. Cis-(3-amino)cyclopentanol

4. Cis-3-aminocyclopentanol

5. (1r,3s)-3-amino-cyclopentanol

6. (1r,3s)-3-aminocyclopentan-1-ol

7. Cyclopentanol, 3-amino-, (1r,3s)-rel-

8. Cyclopentanol,3-amino-,(1r,3s)-rel-(9ci)

9. Schembl3547564

10. Amy12396

11. Zea55542

12. Mfcd11052498

13. Mfcd12911748

14. Zinc34266430

15. Akos006306610

16. Akos015854149

17. Ss-4960

18. Ac-31322

19. Ws-01062

20. Cs-0020859

21. W11751

22. A851653

23. J-500344

24. (1r,3s)-3-aminocyclopentanol(hydrochloride Form)

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₁NO
Molecular Weight	101.15 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	101.084063974 g/mol
Monoisotopic Mass	101.084063974 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	65.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1