CAS 168960-19-8

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 11 Related Intermediates

3 Suppliers
3 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 168960-19-8, (1s,4r)-4-amino-cyclopent-2-enyl-methanol hydrochloride, 2-cyclopentene-1-methanol, 4-amino-, hydrochloride, (1s,4r)-, (1s,4r)-(4-aminocyclopent-2-enyl)methanol hydrochloride, [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride, Schembl4498187

Molecular Formula

C₆H₁₂ClNO

Molecular Weight

149.62 g/mol

InChI Key

DFJSXBUVSKWALM-IBTYICNHSA-N

1 2D Structure

CAS 168960-19-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

2.1.2 InChI

InChI=1S/C6H11NO.ClH/c7-6-2-1-5(3-6)4-8;/h1-2,5-6,8H,3-4,7H2;1H/t5-,6+;/m1./s1

2.1.3 InChI Key

DFJSXBUVSKWALM-IBTYICNHSA-N

2.1.4 Canonical SMILES

C1C(C=CC1N)CO.Cl

2.1.5 Isomeric SMILES

C1[C@@H](C=C[C@@H]1N)CO.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 168960-19-8

2. (1s,4r)-4-amino-cyclopent-2-enyl-methanol Hydrochloride

3. 2-cyclopentene-1-methanol, 4-amino-, Hydrochloride, (1s,4r)-

4. (1s,4r)-(4-aminocyclopent-2-enyl)methanol Hydrochloride

5. [(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

6. Schembl4498187

7. Dtxsid90703775

8. Dtxsid701015728

9. Srca-00006

10. Mfcd01632106

11. Akos025287181

12. Ds-9476

13. Db-126395

14. Cs-0162437

15. D70763

16. (1s,4r)-4-amino-2-cyclopentene-1-methanol Hcl

17. [(1r,4s)-4-4-amino-2-cyclopentene-1-methanol Hcl

18. ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanolhydrochloride

19. (+/-)-cis-4-amino-2-cyclopentene-1-methanol Hydrochloride

20. (+)-(1s,4r)-4-amino-2-cyclopentene-1-methanol Hydrochloride

21. (1r, 4s)-1-amino-4-hydroxymethyl-2-cyclopentene Hydrochloride

22. (1r,4s)-1-amino-4-hydroxymethyl-2-cyclopentene Hydrochloride

23. [(1s,4r)-4-amino-2-cyclopenten-1-yl]methanol Hydrochloride

24. ((1s,4r)-4-aminocyclopent-2-en-1-yl)methanol Hydrochloride (1:1)

25. (1r, 4 S)-1- Amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

26. (1r, 4 S)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

27. (1r, 4s)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

28. (1r,4s)-1-amino-4-(hydroxymethyl)-2-cyclo-pentene Hydrochloride

29. (1r,4s)-1-amino-4-(hydroxymethyl)-2-cyclopentene Hydrochloride

30. [(1s,4r)-4-amino-2-cyclopenten-1-yl]methanol Hydrochloride (1:1)

31. 2-cyclopentene-1-methanol, 4-amino-, Hydrochloride (1:1), (1s,4r)-

32. Sriramchem-[(1s,4r)-4-aminocyclopent-2-en-1-yl]methanol;hydrochloride

2.3 Create Date

2011-11-07

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂ClNO
Molecular Weight	149.62 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	149.0607417 g/mol
Monoisotopic Mass	149.0607417 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	101
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