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17332-39-7 | Sulfamic acid, compd. with 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline (1:1)
CAS No: 17332-39-7 Catalog No: AG001YSU MDL No:
Product Description
Catalog Number:
AG001YSU
Chemical Name:
Sulfamic acid, compd. with 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline (1:1)
CAS Number:
17332-39-7
Molecular Formula:
C24H32N2O7S
Molecular Weight:
492.5851
IUPAC Name:
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium;sulfamate
InChI:
InChI=1S/C24H29NO4.H3NO3S/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-5(2,3)4/h9-12,14-16H,5-8,13H2,1-4H3;(H3,1,2,3,4)
InChI Key:
ZKTOHCHQLAMMQD-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)O.CCOc1ccc(cc1OCC)Cc1nccc2c1cc(OCC)c(c2)OCC
EC Number:
241-354-8
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.193g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.587g/mol
Monoisotopic Mass:
492.193g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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