Home Nitriles 2-[(4-aminocyclohexyl)oxy]benzonitrile hydrochloride

2-[(4-aminocyclohexyl)oxy]benzonitrile hydrochloride

CAS No.:
1311317-44-8
Catalog Number:
AG01AHGM
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
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Product Description
Catalog Number:
AG01AHGM
Chemical Name:
2-[(4-aminocyclohexyl)oxy]benzonitrile hydrochloride
CAS Number:
1311317-44-8
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
MDL Number:
MFCD18483331
IUPAC Name:
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12;/h1-4,11-12H,5-8,15H2;1H
InChI Key:
GKAPKNJIIFYMRD-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OC1CCC(CC1)N.Cl
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties