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854631-75-7 | 4-(dimethylamino)-2-isopropyl-5-methylphenol
CAS No: 854631-75-7 Catalog No: AG0039BF MDL No:
Product Description
Catalog Number:
AG0039BF
Chemical Name:
4-(dimethylamino)-2-isopropyl-5-methylphenol
CAS Number:
854631-75-7
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
4-(dimethylamino)-5-methyl-2-propan-2-ylphenol
InChI:
InChI=1S/C12H19NO/c1-8(2)10-7-11(13(4)5)9(3)6-12(10)14/h6-8,14H,1-5H3
InChI Key:
APGHVEFQUFCLPP-UHFFFAOYSA-N
SMILES:
CC(c1cc(N(C)C)c(cc1O)C)C
Properties
Complexity:
179
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:
3.4
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