2-cyclohexyl-6-(dimethylaminomethyl)-4-octan-2-yl-phenol 5426-30-2

Details:

【Name】
2-cyclohexyl-6-[(dimethylamino)methyl]-4-(octan-2-yl)phenol
【Iupac name】
2-cyclohexyl-6-[(dimethylamino)methyl]-4-octan-2-ylphenol
【CAS Registry number】
5426-30-2
【Synonyms】
2-cyclohexyl-6-[(dimethylamino)methyl]-4-(octan-2-yl)phenol
5426-30-2
NSC14063
AC1L5DQB
AC1Q79JD
AR-1E0964
NSC-14063
2-cyclohexyl-6-(dimethylaminomethyl)-4-octan-2-ylphenol
【Molecular Formula】
C23H39NO (Products with the same molecular formula)
【Molecular Weight】
345.5619
【Inchi】
InChI=1/C23H39NO/c1-5-6-7-9-12-18(2)20-15-21(17-24(3)4)23(25)22(16-20)19-13-10-8-11-14-19/h15-16,18-19,25H,5-14,17H2,1-4H3
【Canonical SMILES】
CCCCCCC(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CN(C)C
【MOL File】
5426-30-2.mol
Chemical and Physical Properties
【Density】
0.964g/cm3
【Boiling Point】
403.9°C at 760 mmHg
【Refractive Index】
1.521
【Flash Point】
143.7°C
【Computed Properties】
Molecular Weight:345.56186 [g/mol]
Molecular Formula:C23H39NO
XLogP3-AA:7.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:9
Tautomer Count:3
Exact Mass:345.303165
MonoIsotopic Mass:345.303165
Topological Polar Surface Area:23.5
Heavy Atom Count:25
Formal Charge:0
Complexity:350
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:2
Effective Rotor Count:10.2
Conformer Sampling RMSD:1
CID Conformer Count:172