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13256-11-6 | Benzeneethanamine, N-methyl-N-nitroso-
CAS No: 13256-11-6 Catalog No: AG0010UC MDL No:
Product Description
Catalog Number:
AG0010UC
Chemical Name:
Benzeneethanamine, N-methyl-N-nitroso-
CAS Number:
13256-11-6
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
N-methyl-N-(2-phenylethyl)nitrous amide
InChI:
InChI=1S/C9H12N2O/c1-11(10-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
AVESHLVLHJKUKQ-UHFFFAOYSA-N
SMILES:
O=NN(CCc1ccccc1)C
RTECS Number:
SI0770000
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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