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147960-50-7 | Piperidine, 4-(1-methyl-1H-imidazol-5-yl)-, hydrochloride (1:2)
CAS No: 147960-50-7 Catalog No: AG001FC3 MDL No:MFCD11111436
Product Description
Catalog Number:
AG001FC3
Chemical Name:
Piperidine, 4-(1-methyl-1H-imidazol-5-yl)-, hydrochloride (1:2)
CAS Number:
147960-50-7
Molecular Formula:
C9H17Cl2N3
Molecular Weight:
238.1574
MDL Number:
MFCD11111436
IUPAC Name:
4-(3-methylimidazol-4-yl)piperidine;dihydrochloride
InChI:
InChI=1S/C9H15N3.2ClH/c1-12-7-11-6-9(12)8-2-4-10-5-3-8;;/h6-8,10H,2-5H2,1H3;2*1H
InChI Key:
TUHHNDHSYYEDFV-UHFFFAOYSA-N
SMILES:
Cn1cncc1C1CCNCC1.Cl.Cl
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.156g/mol
Monoisotopic Mass:
237.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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