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100251-95-4 | Phenol, 2-[(dimethylamino)methyl]-3,5,6-trimethyl-
CAS No: 100251-95-4 Catalog No: AG0001EC MDL No:
Product Description
Catalog Number:
AG0001EC
Chemical Name:
Phenol, 2-[(dimethylamino)methyl]-3,5,6-trimethyl-
CAS Number:
100251-95-4
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
2-[(dimethylamino)methyl]-3,5,6-trimethylphenol
InChI:
InChI=1S/C12H19NO/c1-8-6-9(2)11(7-13(4)5)12(14)10(8)3/h6,14H,7H2,1-5H3
InChI Key:
BYIDXIVMEUXTJJ-UHFFFAOYSA-N
SMILES:
CN(Cc1c(C)cc(c(c1O)C)C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Molecular properties investigation of a substituted aromatic mannich base: dynamic and static models. | Journal of chemical information and modeling 20070101 |
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