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benzyl(methoxy)amine

CAS No.:
20056-98-8
Catalog Number:
AG01A5GM
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
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Product Description
Catalog Number:
AG01A5GM
Chemical Name:
benzyl(methoxy)amine
CAS Number:
20056-98-8
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD21100694
IUPAC Name:
N-methoxy-1-phenylmethanamine
InChI:
InChI=1S/C8H11NO/c1-10-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChI Key:
QWLISCJHYITNQF-UHFFFAOYSA-N
SMILES:
CONCc1ccccc1
Properties
Complexity:
79.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Using simple donors to drive the equilibria of glycosyltransferase-catalyzed reactions. Nature chemical biology 20111001
2-(1-Adamant-yl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)amino-meth-yl]phen-yl}ethanone. Acta crystallographica. Section E, Structure reports online 20090201
Properties