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1073666-54-2 | (S)-3-Aminobutanenitrile hydrochloride
CAS No: 1073666-54-2 Catalog No: AG003ABT MDL No:MFCD18651598
Product Description
Catalog Number:
AG003ABT
Chemical Name:
(S)-3-Aminobutanenitrile hydrochloride
CAS Number:
1073666-54-2
Molecular Formula:
C4H9ClN2
Molecular Weight:
120.5807
MDL Number:
MFCD18651598
IUPAC Name:
(3S)-3-aminobutanenitrile;hydrochloride
InChI:
InChI=1S/C4H8N2.ClH/c1-4(6)2-3-5;/h4H,2,6H2,1H3;1H/t4-;/m0./s1
InChI Key:
YUOMYYHJZHVWDF-WCCKRBBISA-N
SMILES:
C[C@@H](CC#N)N.Cl
Properties
Complexity:
68.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
120.045g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.58g/mol
Monoisotopic Mass:
120.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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