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151222-02-5 | Benzenemethanamine, 3,4,5-trimethoxy-N-(4-methoxyphenyl)-, hydrochloride (1:1)
CAS No: 151222-02-5 Catalog No: AG001N6M MDL No:
Product Description
Catalog Number:
AG001N6M
Chemical Name:
Benzenemethanamine, 3,4,5-trimethoxy-N-(4-methoxyphenyl)-, hydrochloride (1:1)
CAS Number:
151222-02-5
Molecular Formula:
C17H22ClNO4
Molecular Weight:
339.8139
IUPAC Name:
4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;hydrochloride
InChI:
InChI=1S/C17H21NO4.ClH/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3;/h5-10,18H,11H2,1-4H3;1H
InChI Key:
LPQHSPCKVORGKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCc1cc(OC)c(c(c1)OC)OC.Cl
NSC Number:
648543
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.816g/mol
Monoisotopic Mass:
339.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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