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5,7-Dimethylquinolin-2-amine

CAT: 0926-SDC19000-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-SDC19000-01Size:50 mg
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CAS Number
1342190-00-4
MDL Number
MFCD19678426
Smiles
CC1=CC (=C2C=CC (=NC2=C1) N) C
Molecular Formula
C11H12N2
Molecular Weight
172.23 g/mol
Controlled
No

Chemical Information

5,7-Dimethylquinolin-2-amine
CAS Number1342190-00-4
PubChem CID64208470
IUPAC Name5,7-dimethylquinolin-2-amine
Molecular FormulaC11H12N2
Molecular Weight172.23
XLogP2.6
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity181
SMILES
CC1=CC(=C2C=CC(=NC2=C1)N)C
InChI
InChI=1S/C11H12N2/c1-7-5-8(2)9-3-4-11(12)13-10(9)6-7/h3-6H,1-2H3,(H2,12,13)
InChIKey
VJVWPHVWZALSKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethylquinolin-2-amine
CAS: 1342190-00-4
CID: 64208470
Formula: C11H12N2
MW: 172.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.23
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass172.100048391
Monoisotopic Mass172.100048391
Topological Polar Surface Area38.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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