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13224-88-9 | Phenol, 2-[(dimethylamino)methyl]-4,6-bis(1-methylheptyl)-
CAS No: 13224-88-9 Catalog No: AG0010G7 MDL No:
Product Description
Catalog Number:
AG0010G7
Chemical Name:
Phenol, 2-[(dimethylamino)methyl]-4,6-bis(1-methylheptyl)-
CAS Number:
13224-88-9
Molecular Formula:
C25H45NO
Molecular Weight:
375.6309
IUPAC Name:
2-[(dimethylamino)methyl]-4,6-di(octan-2-yl)phenol
InChI:
InChI=1S/C25H45NO/c1-7-9-11-13-15-20(3)22-17-23(19-26(5)6)25(27)24(18-22)21(4)16-14-12-10-8-2/h17-18,20-21,27H,7-16,19H2,1-6H3
InChI Key:
KDBCJZYXOWUJCI-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1cc(CN(C)C)c(c(c1)C(CCCCCC)C)O)C
NSC Number:
10670
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.35g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.641g/mol
Monoisotopic Mass:
375.35g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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