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6893-32-9 | 1-METHYL-1-(2-(PYRIDIN-2-YL)ETHYL)PIPERIDINIUM IODIDE
CAS No: 6893-32-9 Catalog No: AG00608N MDL No:
Product Description
Catalog Number:
AG00608N
Chemical Name:
1-METHYL-1-(2-(PYRIDIN-2-YL)ETHYL)PIPERIDINIUM IODIDE
CAS Number:
6893-32-9
Molecular Formula:
C13H21IN2
Molecular Weight:
332.2237
IUPAC Name:
2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine;iodide
InChI:
InChI=1S/C13H21N2.HI/c1-15(10-5-2-6-11-15)12-8-13-7-3-4-9-14-13;/h3-4,7,9H,2,5-6,8,10-12H2,1H3;1H/q+1;/p-1
InChI Key:
NVYNLSNZTIUKGL-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCCC1)CCc1ccccn1.[I-]
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.229g/mol
Monoisotopic Mass:
332.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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