Home Nitriles (R)-3-(1-Amino-2-hydroxyethyl)benzonitrile hydrochloride

(R)-3-(1-Amino-2-hydroxyethyl)benzonitrile hydrochloride

CAS No.:
1245623-77-1
Catalog Number:
AG00HHOU
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
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Product Description
Catalog Number:
AG00HHOU
Chemical Name:
(R)-3-(1-Amino-2-hydroxyethyl)benzonitrile hydrochloride
CAS Number:
1245623-77-1
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD18375610
IUPAC Name:
3-[(1R)-1-amino-2-hydroxyethyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c10-5-7-2-1-3-8(4-7)9(11)6-12;/h1-4,9,12H,6,11H2;1H/t9-;/m0./s1
InChI Key:
SHCGXNAWGYFVRX-FVGYRXGTSA-N
SMILES:
OC[C@@H](c1cccc(c1)C#N)N.Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
Properties