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100010-21-7 | Phenol, 3-(cyclohexylethylamino)-
CAS No: 100010-21-7 Catalog No: AG0000AL MDL No:
Product Description
Catalog Number:
AG0000AL
Chemical Name:
Phenol, 3-(cyclohexylethylamino)-
CAS Number:
100010-21-7
Molecular Formula:
C14H21NO
Molecular Weight:
219.3226
IUPAC Name:
3-(2-cyclohexylethylamino)phenol
InChI:
InChI=1S/C14H21NO/c16-14-8-4-7-13(11-14)15-10-9-12-5-2-1-3-6-12/h4,7-8,11-12,15-16H,1-3,5-6,9-10H2
InChI Key:
IFAFFSZDVLUFIH-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)NCCC1CCCCC1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.328g/mol
Monoisotopic Mass:
219.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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