Home Nitriles 3-(4-aminooxan-4-yl)benzonitrile hydrochloride

3-(4-aminooxan-4-yl)benzonitrile hydrochloride

CAS No.:
1955547-10-0
Catalog Number:
AG01B6AA
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
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Product Description
Catalog Number:
AG01B6AA
Chemical Name:
3-(4-aminooxan-4-yl)benzonitrile hydrochloride
CAS Number:
1955547-10-0
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD30181330
IUPAC Name:
3-(4-aminooxan-4-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c13-9-10-2-1-3-11(8-10)12(14)4-6-15-7-5-12;/h1-3,8H,4-7,14H2;1H
InChI Key:
GOHOCUVDSUBPSQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1(N)CCOCC1.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:
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