1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3S)-3-aminobutanenitrile;hydrochloride

2.1.2 InChI

InChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1

2.1.3 InChI Key

YUOMYYHJZHVWDF-WCCKRBBISA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1073666-54-2

2. Refchem:401368

3. 866-777-0

4. (s)-3-aminobutanenitrile Hydrochloride

5. (s)-3-aminobutanenitrile Hcl

6. Mfcd18651598

7. (3s)-3-aminobutanenitrile;hydrochloride

8. Schembl21175423

9. (s)-3-aminobutanenitrilehydrochloride

10. Akos025396650

11. As-30133

12. Sy121969

13. Ds-019335

14. Cs-0127884

15. En300-7423116

16. F497793

2.3 Create Date

2015-10-12

3 Chemical and Physical Properties

Molecular Formula	C₄H₉ClN₂
Molecular Weight	120.58 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	49.8
Heavy Atom Count	7
Formal Charge	0
Complexity	68.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

CAS 1073666-54-2