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1600589-42-1 | Benzenemethanamine, N-cyclopropyl-3-methyl-4-nitro-
CAS No: 1600589-42-1 Catalog No: AG001RMS MDL No:
Product Description
Catalog Number:
AG001RMS
Chemical Name:
Benzenemethanamine, N-cyclopropyl-3-methyl-4-nitro-
CAS Number:
1600589-42-1
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
N-[(3-methyl-4-nitrophenyl)methyl]cyclopropanamine
InChI:
InChI=1S/C11H14N2O2/c1-8-6-9(7-12-10-3-4-10)2-5-11(8)13(14)15/h2,5-6,10,12H,3-4,7H2,1H3
InChI Key:
FIAGZXBARWZFHN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)CNC1CC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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