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1-[3-amino-4-(methylamino)phenyl]ethanone

1-[3-amino-4-(methylamino)phenyl]ethanone

CAS: 18076-19-2

Formula: C9H12N2O

SMILES: CNC1=C(N)C=C(C=C1)C(C)=O

IUPAC: 1-[3-amino-4-(methylamino)phenyl]ethan-1-one

InChI: InChI=1S/C9H12N2O/c1-6(12)7-3-4-9(11-2)8(10)5-7/h3-5,11H,10H2,1-2H3

Composition: C (65.83%), H (7.37%), N (17.06%), O (9.74%)

Molar Mass: 164.208

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.094963014
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BDFJKWSILZEFMQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.36
Topological Polar Surface Area 55.12
Polarizability 18.18
Ring Count 1
Rotatable Bond Count 2

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