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73771-90-1 | 1-ETHYL-1-PIPERIDIN-1-YLMETHYLPIPERIDINIUM IODIDE
CAS No: 73771-90-1 Catalog No: AG005XL6 MDL No:
Product Description
Catalog Number:
AG005XL6
Chemical Name:
1-ETHYL-1-PIPERIDIN-1-YLMETHYLPIPERIDINIUM IODIDE
CAS Number:
73771-90-1
Molecular Formula:
C13H27IN2
Molecular Weight:
338.2714
IUPAC Name:
1-ethyl-1-(piperidin-1-ylmethyl)piperidin-1-ium;iodide
InChI:
InChI=1S/C13H27N2.HI/c1-2-15(11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h2-13H2,1H3;1H/q+1;/p-1
InChI Key:
LCBPTCKYUGUDNM-UHFFFAOYSA-M
SMILES:
CC[N+]1(CCCCC1)CN1CCCCC1.[I-]
NSC Number:
203168
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.277g/mol
Monoisotopic Mass:
338.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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