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4393-09-3 | (2,3-Dimethoxyphenyl)methanamine
CAS No: 4393-09-3 Catalog No: AG003FJN MDL No:MFCD00052392
Product Description
Catalog Number:
AG003FJN
Chemical Name:
(2,3-Dimethoxyphenyl)methanamine
CAS Number:
4393-09-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00052392
IUPAC Name:
(2,3-dimethoxyphenyl)methanamine
InChI:
InChI=1S/C9H13NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6,10H2,1-2H3
InChI Key:
LVMPWFJVYMXSNY-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1OC)OC
EC Number:
224-515-7
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Exploring the binding mode of semicarbazide-sensitive amine oxidase/VAP-1: identification of novel substrates with insulin-like activity. | Journal of medicinal chemistry 20040923 |
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