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403492-40-0 | 4-(1H-imidazol-1-yl)piperidine dihydrochloride
CAS No: 403492-40-0 Catalog No: AG00CMSM MDL No:MFCD08669034
Product Description
Catalog Number:
AG00CMSM
Chemical Name:
4-(1H-imidazol-1-yl)piperidine dihydrochloride
CAS Number:
403492-40-0
Molecular Formula:
C8H15Cl2N3
Molecular Weight:
224.1308
MDL Number:
MFCD08669034
IUPAC Name:
4-imidazol-1-ylpiperidine;dihydrochloride
InChI:
InChI=1S/C8H13N3.2ClH/c1-3-9-4-2-8(1)11-6-5-10-7-11;;/h5-9H,1-4H2;2*1H
InChI Key:
CCMGDHFNKMMBJD-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)n1cncc1.Cl.Cl
Properties
Complexity:
121
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:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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