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3,5-Dimethylbenzimidamide

CAT: 0127-OR1057016-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057016-01Size:100 mg
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CAS Number
26130-48-3
MDL Number
MFCD05663003
Purity
97%
Smiles
N=C(N)C1=CC(C)=CC(C)=C1

Chemical Information

3,5-Dimethylbenzenecarboximidamide
CAS Number26130-48-3
PubChem CID3357702
IUPAC Name3,5-dimethylbenzenecarboximidamide
Molecular FormulaC9H12N2
Molecular Weight148.20
XLogP1.7
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1=CC(=CC(=C1)C(=N)N)C
InChI
InChI=1S/C9H12N2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H3,10,11)
InChIKey
LUYDWZDLNAWGHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylbenzenecarboximidamide
CAS: 26130-48-3
CID: 3357702
Formula: C9H12N2
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass148.100048391
Monoisotopic Mass148.100048391
Topological Polar Surface Area49.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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