2-(dimethylaminomethyl)-6-methoxy-4-tert-butyl-phenol 5426-16-4

Details:

【Name】
2-(dimethylaminomethyl)-6-methoxy-4-tert-butyl-phenol
【Iupac name】
4-tert-butyl-2-[(dimethylamino)methyl]-6-methoxyphenol
【CAS Registry number】
5426-16-4
【Synonyms】
4-tert-butyl-2-[(dimethylamino)methyl]-6-methoxyphenol
5426-16-4
NSC14045
AC1L5DQ0
AC1Q79LA
AR-1G4669
NSC-14045
2-(dimethylaminomethyl)-6-methoxy-4-tert-butyl-phenol
4-tert-butyl-2-(dimethylaminomethyl)-6-methoxyphenol
【Molecular Formula】
C14H23NO2 (Products with the same molecular formula)
【Molecular Weight】
237.3379
【Inchi】
InChI=1/C14H23NO2/c1-14(2,3)11-7-10(9-15(4)5)13(16)12(8-11)17-6/h7-8,16H,9H2,1-6H3
【Canonical SMILES】
CC(C)(C)C1=CC(=C(C(=C1)OC)O)CN(C)C
Chemical and Physical Properties
【Density】
1.009g/cm3
【Boiling Point】
308.2°Cat760mmHg
【Refractive Index】
1.516
【Flash Point】
308.2°Cat760mmHg
【Computed Properties】
Molecular Weight:237.33792 [g/mol]
Molecular Formula:C14H23NO2
XLogP3-AA:3
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:237.172879
MonoIsotopic Mass:237.172879
Topological Polar Surface Area:32.7
Heavy Atom Count:17
Formal Charge:0
Complexity:235
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:11