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3,3-Dimethylpiperidine

CAT: 0024-sc-266854Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-266854Size:250 mg
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CAS Number
1193-12-0

Chemical Information

3,3-Dimethylpiperidine
CAS Number1193-12-0
PubChem CID70942
IUPAC Name3,3-dimethylpiperidine
Molecular FormulaC7H15N
Molecular Weight113.20
XLogP1.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
CC1(CCCNC1)C
InChI
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3
InChIKey
CDODDZJCEADUQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Dimethylpiperidine
CAS: 1193-12-0
CID: 70942
Formula: C7H15N
MW: 113.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass113.120449483
Monoisotopic Mass113.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.5
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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427497-013,5-Dimethylpiperidine
419851-012,3-Dimethylpiperidine
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