CAS 709031-39-0

1 2D Structure

CAS 709031-39-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

2.1.2 InChI

InChI=1S/C6H10N2O.ClH/c7-6(9)5-2-3-1-4(3)8-5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4-,5-;/m0./s1

2.1.3 InChI Key

JFUDIEFZSNQJBS-SHLRHQAISA-N

2.1.4 Canonical SMILES

C1C2C1NC(C2)C(=O)N.Cl

2.1.5 Isomeric SMILES

C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 709031-39-0

2. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide Hcl

3. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride

4. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide, Hcl

5. Schembl2469688

6. Dtxsid20468643

7. Mfcd13151930

8. Akos016013244

9. Ac-26402

10. As-36479

11. Cs-0135377

12. A866523

13. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamidehydrochloride

14. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide Hydrochloride Salt

15. (1s,3s,5s)-2-azabicyclo[3.1.0]hexane-3-carboxamide--hydrogen Chloride (1/1)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClN₂O
Molecular Weight	162.62 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.0559907 g/mol
Monoisotopic Mass	162.0559907 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	157
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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