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70045-11-3 | 1,2-Benzenediol,4-[2-[(1-methylethyl)(2-phenylethyl)amino]ethyl]-
CAS No: 70045-11-3 Catalog No: AG005GBF MDL No:
Product Description
Catalog Number:
AG005GBF
Chemical Name:
1,2-Benzenediol,4-[2-[(1-methylethyl)(2-phenylethyl)amino]ethyl]-
CAS Number:
70045-11-3
Molecular Formula:
C19H25NO2
Molecular Weight:
299.4073
IUPAC Name:
4-[2-[2-phenylethyl(propan-2-yl)amino]ethyl]benzene-1,2-diol
InChI:
InChI=1S/C19H25NO2/c1-15(2)20(12-10-16-6-4-3-5-7-16)13-11-17-8-9-18(21)19(22)14-17/h3-9,14-15,21-22H,10-13H2,1-2H3
InChI Key:
UYMDUNQUHVECAG-UHFFFAOYSA-N
SMILES:
CC(N(CCc1ccccc1)CCc1ccc(c(c1)O)O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.414g/mol
Monoisotopic Mass:
299.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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