CAS 1279032-31-3

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Chemistry

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Also known as: 1279032-31-3, Cis-3-aminocyclopentanol hydrochloride, 1284248-73-2, (1r,3s)-3-aminocyclopentan-1-ol hydrochloride, Cis-3-aminocyclopentanol hcl salt, Cis-3-aminocyclopentanol hcl

Molecular Formula

C₅H₁₂ClNO

Molecular Weight

137.61 g/mol

InChI Key

SGKRJNWIEGYWGE-UYXJWNHNSA-N

1 2D Structure

CAS 1279032-31-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

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

2.1.3 InChI Key

SGKRJNWIEGYWGE-UYXJWNHNSA-N

2.1.4 Canonical SMILES

C1CC(CC1N)O.Cl

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1279032-31-3

2. Cis-3-aminocyclopentanol Hydrochloride

3. 1284248-73-2

4. (1r,3s)-3-aminocyclopentan-1-ol Hydrochloride

5. Cis-3-aminocyclopentanol Hcl Salt

6. Cis-3-aminocyclopentanol Hcl

7. (1r,3s)-3-aminocyclopentan-1-ol;hydrochloride

8. (1r,3s)-3-aminocyclopentanol Hcl

9. 124555-33-5

10. Mfcd11878010

11. Schembl16278441

12. Amy12405

13. Cs-b1526

14. Cis-3-aminocyclopentanolhydrochloride

15. Mfcd22378847

16. Akos015909811

17. (1r,3s)-3-aminocyclopentan-1-ol Hcl

18. Ac-30659

19. As-30897

20. 555a335

2.3 Create Date

2012-03-22

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂ClNO
Molecular Weight	137.61 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	137.0607417 g/mol
Monoisotopic Mass	137.0607417 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	8
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	2