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Home > Pyridines > 1955557-42-2
1955557-42-2 | 3-[1-(pyrrolidin-3-yl)ethyl]pyridine dihydrochloride
CAS No: 1955557-42-2 Catalog No: AG01B2BG MDL No:MFCD30180426
Product Description
Catalog Number:
AG01B2BG
Chemical Name:
3-[1-(pyrrolidin-3-yl)ethyl]pyridine dihydrochloride
CAS Number:
1955557-42-2
Molecular Formula:
C11H18Cl2N2
Molecular Weight:
249.1800
MDL Number:
MFCD30180426
IUPAC Name:
3-(1-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
InChI:
InChI=1S/C11H16N2.2ClH/c1-9(11-4-6-13-8-11)10-3-2-5-12-7-10;;/h2-3,5,7,9,11,13H,4,6,8H2,1H3;2*1H
InChI Key:
RVJGSAGKCXHFCY-UHFFFAOYSA-N
SMILES:
CC(c1cccnc1)C1CNCC1.Cl.Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.179g/mol
Monoisotopic Mass:
248.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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