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2-Methylquinazolin-6-amine

CAT: 0127-OR1056861-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1056861-01Size:100 mg
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CAS Number
1056566-65-4
MDL Number
MFCD20040472
Purity
97%
Smiles
NC1=CC2=CN=C(C)N=C2C=C1

Chemical Information

2-Methylquinazolin-6-amine
CAS Number1056566-65-4
PubChem CID58290630
IUPAC Name2-methylquinazolin-6-amine
Molecular FormulaC9H9N3
Molecular Weight159.19
XLogP1.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=NC=C2C=C(C=CC2=N1)N
InChI
InChI=1S/C9H9N3/c1-6-11-5-7-4-8(10)2-3-9(7)12-6/h2-5H,10H2,1H3
InChIKey
NLCQACQGFVUOAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylquinazolin-6-amine
CAS: 1056566-65-4
CID: 58290630
Formula: C9H9N3
MW: 159.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.19
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass159.079647300
Monoisotopic Mass159.079647300
Topological Polar Surface Area51.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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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