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26398-72-1 | Phenol, 2-[(diethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)-
CAS No: 26398-72-1 Catalog No: AG002T17 MDL No:
Product Description
Catalog Number:
AG002T17
Chemical Name:
Phenol, 2-[(diethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)-
CAS Number:
26398-72-1
Molecular Formula:
C19H33NO
Molecular Weight:
291.4714
IUPAC Name:
2-(diethylaminomethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C19H33NO/c1-8-20(9-2)13-15-12-16(10-11-17(15)21)19(6,7)14-18(3,4)5/h10-12,21H,8-9,13-14H2,1-7H3
InChI Key:
RNTKCCDZFMFKCI-UHFFFAOYSA-N
SMILES:
CCN(Cc1cc(ccc1O)C(CC(C)(C)C)(C)C)CC
NSC Number:
10642
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.479g/mol
Monoisotopic Mass:
291.256g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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