Home Nitriles 4-(4-aminooxan-4-yl)benzonitrile hydrochloride

4-(4-aminooxan-4-yl)benzonitrile hydrochloride

CAS No.:
2044712-77-6
Catalog Number:
AG01BVLZ
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
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Product Description
Catalog Number:
AG01BVLZ
Chemical Name:
4-(4-aminooxan-4-yl)benzonitrile hydrochloride
CAS Number:
2044712-77-6
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD30476473
IUPAC Name:
4-(4-aminooxan-4-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c13-9-10-1-3-11(4-2-10)12(14)5-7-15-8-6-12;/h1-4H,5-8,14H2;1H
InChI Key:
XACQBGKNXXANSM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(N)CCOCC1.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties