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7146-99-8 | 1-(9-chlorophenanthren-3-yl)-2-(dibutylamino)ethanol
CAS No: 7146-99-8 Catalog No: AG005HRO MDL No:
Product Description
Catalog Number:
AG005HRO
Chemical Name:
1-(9-chlorophenanthren-3-yl)-2-(dibutylamino)ethanol
CAS Number:
7146-99-8
Molecular Formula:
C24H30ClNO
Molecular Weight:
383.9541
IUPAC Name:
1-(9-chlorophenanthren-3-yl)-2-(dibutylamino)ethanol
InChI:
InChI=1S/C24H30ClNO/c1-3-5-13-26(14-6-4-2)17-24(27)19-12-11-18-16-23(25)21-10-8-7-9-20(21)22(18)15-19/h7-12,15-16,24,27H,3-6,13-14,17H2,1-2H3
InChI Key:
IYEPNDPUTXPUMQ-UHFFFAOYSA-N
SMILES:
CCCCN(CC(c1ccc2c(c1)c1ccccc1c(c2)Cl)O)CCCC
NSC Number:
43494
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.202g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.96g/mol
Monoisotopic Mass:
383.202g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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