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102729-78-2 | Cyclohexanol, 1-(aminophenylmethyl)-
CAS No: 102729-78-2 Catalog No: AG000881 MDL No:
Product Description
Catalog Number:
AG000881
Chemical Name:
Cyclohexanol, 1-(aminophenylmethyl)-
CAS Number:
102729-78-2
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
1-[amino(phenyl)methyl]cyclohexan-1-ol
InChI:
InChI=1S/C13H19NO/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12,15H,2,5-6,9-10,14H2
InChI Key:
QYZQCUZVVZWJDT-UHFFFAOYSA-N
SMILES:
NC(C1(O)CCCCC1)c1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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