Home Amines 101931-31-1
101931-31-1,MFCD06213084
Catalog No.:AA0005W7
101931-31-1 | 1-Naphthalenemethanamine, 4-methoxy-
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005W7
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
Computed 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  

Synonyms
 
1-naphthalenemethanamine, 4-methoxy- 
101931-31-1 
CTK0D9335 
DTXSID80275638 
IVBVTJRJXOWINB-UHFFFAOYSA-N 
AC1Q5812 
ZINC1852658 
AKOS013400715 
SC-62651 
CID59139 
4-METHOXYNAPHTHALEN-1-YLMETHYLAMINE 
1-(aminomethyl)-4-methoxynaphthalene 
(4-methoxynaphthalen-1-yl)methanamine 
AC1L1QJN 
ACMC-1BNM7 
CHEMBL216518 
SCHEMBL3971262 
4-methoxy-1-naphthylmethylamine 
Literature

Title: New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking.

Journal: Journal of medicinal chemistry 20061019

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