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18076-19-2 | Ethanone, 1-[3-amino-4-(methylamino)phenyl]-
CAS No: 18076-19-2 Catalog No: AG0022CB MDL No:MFCD03407301
Product Description
Catalog Number:
AG0022CB
Chemical Name:
Ethanone, 1-[3-amino-4-(methylamino)phenyl]-
CAS Number:
18076-19-2
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD03407301
IUPAC Name:
1-[3-amino-4-(methylamino)phenyl]ethanone
InChI:
InChI=1S/C9H12N2O/c1-6(12)7-3-4-9(11-2)8(10)5-7/h3-5,11H,10H2,1-2H3
InChI Key:
BDFJKWSILZEFMQ-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1N)C(=O)C
Properties
Complexity:
170
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:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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