200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 51746-86-2
51746-86-2 | 3-(1H-imidazol-3-ium-4-yl)piperidin-1-ium dichloride
CAS No: 51746-86-2 Catalog No: AG01BS9E MDL No:MFCD29075295
Product Description
Catalog Number:
AG01BS9E
Chemical Name:
3-(1H-imidazol-3-ium-4-yl)piperidin-1-ium dichloride
CAS Number:
51746-86-2
Molecular Formula:
C8H15Cl2N3
Molecular Weight:
224.1308
MDL Number:
MFCD29075295
IUPAC Name:
3-(1H-imidazol-3-ium-5-yl)piperidin-1-ium;dichloride
InChI:
InChI=1S/C8H13N3.2ClH/c1-2-7(4-9-3-1)8-5-10-6-11-8;;/h5-7,9H,1-4H2,(H,10,11);2*1H
InChI Key:
KUHZHUVFGPARJQ-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1c[nH]cn1.Cl.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.129g/mol
Monoisotopic Mass:
223.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.