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2,8-Dimethylquinazolin-4-amine

CAT: 0926-QSC53856-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-QSC53856-01Size:0.5 g
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CAS Number
1690538-56-7
MDL Number
MFCD31616772
Smiles
CC1=C2C (=CC=C1) C (=NC (=N2) C) N
Molecular Formula
C10H11N3
Molecular Weight
173.21 g/mol
Controlled
No

Chemical Information

2,8-Dimethylquinazolin-4-amine
CAS Number1690538-56-7
PubChem CID106584017
IUPAC Name2,8-dimethylquinazolin-4-amine
Molecular FormulaC10H11N3
Molecular Weight173.21
XLogP2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity183
SMILES
CC1=C2C(=CC=C1)C(=NC(=N2)C)N
InChI
InChI=1S/C10H11N3/c1-6-4-3-5-8-9(6)12-7(2)13-10(8)11/h3-5H,1-2H3,(H2,11,12,13)
InChIKey
VMYCUDOESGZRKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8-Dimethylquinazolin-4-amine
CAS: 1690538-56-7
CID: 106584017
Formula: C10H11N3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass173.095297364
Monoisotopic Mass173.095297364
Topological Polar Surface Area51.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity183
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