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89048-32-8 | 1,4-Benzenediol, 2-[4-(dimethylamino)butyl]-5,6-dimethoxy-3-methyl-
CAS No: 89048-32-8 Catalog No: AG00420Y MDL No:
Product Description
Catalog Number:
AG00420Y
Chemical Name:
1,4-Benzenediol, 2-[4-(dimethylamino)butyl]-5,6-dimethoxy-3-methyl-
CAS Number:
89048-32-8
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
IUPAC Name:
2-[4-(dimethylamino)butyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
InChI:
InChI=1S/C15H25NO4/c1-10-11(8-6-7-9-16(2)3)13(18)15(20-5)14(19-4)12(10)17/h17-18H,6-9H2,1-5H3
InChI Key:
UQACXKSLCUHLHT-UHFFFAOYSA-N
SMILES:
COc1c(O)c(CCCCN(C)C)c(c(c1OC)O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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