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1-Methylpiperidin-3-Amine

CAT: 0127-OR1079530-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1079530-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
42389-57-1
Purity
98%
Smiles
CN1CCCC (C1) N

Chemical Information

1-Methylpiperidin-3-amine
CAS Number42389-57-1
PubChem CID3860971
IUPAC Name1-methylpiperidin-3-amine
Molecular FormulaC6H14N2
Molecular Weight114.19
XLogP-0.1
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CN1CCCC(C1)N
InChI
InChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3
InChIKey
QZSACHHNFDNCNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylpiperidin-3-amine
CAS: 42389-57-1
CID: 3860971
Formula: C6H14N2
MW: 114.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.19
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.115698455
Monoisotopic Mass114.115698455
Topological Polar Surface Area29.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes