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101931-31-1 | 1-Naphthalenemethanamine, 4-methoxy-
CAS No: 101931-31-1 Catalog No: AG0005YZ MDL No:MFCD06213084
Product Description
Catalog Number:
AG0005YZ
Chemical Name:
1-Naphthalenemethanamine, 4-methoxy-
CAS Number:
101931-31-1
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD06213084
IUPAC Name:
(4-methoxynaphthalen-1-yl)methanamine
InChI:
InChI=1S/C12H13NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,8,13H2,1H3
InChI Key:
IVBVTJRJXOWINB-UHFFFAOYSA-N
SMILES:
NCc1ccc(c2c1cccc2)OC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking. | Journal of medicinal chemistry 20061019 |
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