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113784-38-6 | 2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(2-cyclohexylphenoxy)-
CAS No: 113784-38-6 Catalog No: AG0009O9 MDL No:
Product Description
Catalog Number:
AG0009O9
Chemical Name:
2-Propanol, 1-[bis(2-hydroxyethyl)amino]-3-(2-cyclohexylphenoxy)-
CAS Number:
113784-38-6
Molecular Formula:
C19H31NO4
Molecular Weight:
337.4537
IUPAC Name:
1-[bis(2-hydroxyethyl)amino]-3-(2-cyclohexylphenoxy)propan-2-ol
InChI:
InChI=1S/C19H31NO4/c21-12-10-20(11-13-22)14-17(23)15-24-19-9-5-4-8-18(19)16-6-2-1-3-7-16/h4-5,8-9,16-17,21-23H,1-3,6-7,10-15H2
InChI Key:
ZQGAPEZZGZEIST-UHFFFAOYSA-N
SMILES:
OCCN(CC(COc1ccccc1C1CCCCC1)O)CCO
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
337.46g/mol
Monoisotopic Mass:
337.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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