Home Nitriles 3-(2-amino-1-hydroxyethyl)benzonitrile hydrochloride

3-(2-amino-1-hydroxyethyl)benzonitrile hydrochloride

CAS No.:
50916-54-6
Catalog Number:
AG01B4I6
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
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Product Description
Catalog Number:
AG01B4I6
Chemical Name:
3-(2-amino-1-hydroxyethyl)benzonitrile hydrochloride
CAS Number:
50916-54-6
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD30180728
IUPAC Name:
3-(2-amino-1-hydroxyethyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c10-5-7-2-1-3-8(4-7)9(12)6-11;/h1-4,9,12H,6,11H2;1H
InChI Key:
MORBOTKMTNMYLN-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)C#N)O.Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties