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Compound Fr13667

CAT: 0013-GTR19269949-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269949-01Size:1 mg
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Description
Compound Fr13667, with CAS No. 852227-87-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13667 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
852227-87-3
Smiles
CNCc1cc (C) nn1C
Molecular Formula
C7H13N3
Molecular Weight
139.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CAS Number852227-87-3
PubChem CID23005845
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
Molecular FormulaC7H13N3
Molecular Weight139.20
XLogP0
Topological Polar Surface Area29.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CC1=NN(C(=C1)CNC)C
InChI
InChI=1S/C7H13N3/c1-6-4-7(5-8-2)10(3)9-6/h4,8H,5H2,1-3H3
InChIKey
RTTFXSJNRLYKMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CAS: 852227-87-3
CID: 23005845
Formula: C7H13N3
MW: 139.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.20
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass139.110947427
Monoisotopic Mass139.110947427
Topological Polar Surface Area29.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
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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