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143804-31-3 | 1,3-Benzenediol, 4,4'-(3-aminopropylidene)bis[6-ethyl- (9CI)
CAS No: 143804-31-3 Catalog No: AG001IE2 MDL No:
Product Description
Catalog Number:
AG001IE2
Chemical Name:
1,3-Benzenediol, 4,4'-(3-aminopropylidene)bis[6-ethyl- (9CI)
CAS Number:
143804-31-3
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
IUPAC Name:
4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
InChI:
InChI=1S/C19H25NO4/c1-3-11-7-14(18(23)9-16(11)21)13(5-6-20)15-8-12(4-2)17(22)10-19(15)24/h7-10,13,21-24H,3-6,20H2,1-2H3
InChI Key:
AMDBLTWJBXJPHC-UHFFFAOYSA-N
SMILES:
NCCC(c1cc(CC)c(cc1O)O)c1cc(CC)c(cc1O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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