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115869-93-7 | Benzenemethanamine, N-(2-methylpropylidene)-, N-oxide
CAS No: 115869-93-7 Catalog No: AG000GZA MDL No:
Product Description
Catalog Number:
AG000GZA
Chemical Name:
Benzenemethanamine, N-(2-methylpropylidene)-, N-oxide
CAS Number:
115869-93-7
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
N-benzyl-2-methylpropan-1-imine oxide
InChI:
InChI=1S/C11H15NO/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChI Key:
SBIPPLAPIJMTMP-UHFFFAOYSA-N
SMILES:
CC(C=[N+](Cc1ccccc1)[O-])C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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