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138659-57-1 | Phenol, 3-[bis(3-methylbutyl)amino]-
CAS No: 138659-57-1 Catalog No: AG0018Z3 MDL No:
Product Description
Catalog Number:
AG0018Z3
Chemical Name:
Phenol, 3-[bis(3-methylbutyl)amino]-
CAS Number:
138659-57-1
Molecular Formula:
C16H27NO
Molecular Weight:
249.3917
IUPAC Name:
3-[bis(3-methylbutyl)amino]phenol
InChI:
InChI=1S/C16H27NO/c1-13(2)8-10-17(11-9-14(3)4)15-6-5-7-16(18)12-15/h5-7,12-14,18H,8-11H2,1-4H3
InChI Key:
XLPKSXCKPQTKGC-UHFFFAOYSA-N
SMILES:
CC(CCN(c1cccc(c1)O)CCC(C)C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.398g/mol
Monoisotopic Mass:
249.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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