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89110-22-5 | Piperidine, 1-(3-heptenyl)-
CAS No: 89110-22-5 Catalog No: AG003ZTK MDL No:
Product Description
Catalog Number:
AG003ZTK
Chemical Name:
Piperidine, 1-(3-heptenyl)-
CAS Number:
89110-22-5
Molecular Formula:
C12H23N
Molecular Weight:
181.3177
IUPAC Name:
1-hept-3-enylpiperidine
InChI:
InChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-5H,2-3,6-12H2,1H3
InChI Key:
IHRMLYBTXNHILE-UHFFFAOYSA-N
SMILES:
CCCC=CCCN1CCCCC1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.323g/mol
Monoisotopic Mass:
181.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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