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89229-75-4 | 2-Cyclohexen-1-one, 3-(cyclohexylmethylamino)-, hydrochloride
CAS No: 89229-75-4 Catalog No: AG0044GM MDL No:
Product Description
Catalog Number:
AG0044GM
Chemical Name:
2-Cyclohexen-1-one, 3-(cyclohexylmethylamino)-, hydrochloride
CAS Number:
89229-75-4
Molecular Formula:
C13H22ClNO
Molecular Weight:
243.7729
IUPAC Name:
3-(cyclohexylmethylamino)cyclohex-2-en-1-one;hydrochloride
InChI:
InChI=1S/C13H21NO.ClH/c15-13-8-4-7-12(9-13)14-10-11-5-2-1-3-6-11;/h9,11,14H,1-8,10H2;1H
InChI Key:
MIEJXGNLHHQLNU-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)NCC1CCCCC1.Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.139g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.775g/mol
Monoisotopic Mass:
243.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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