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Home > Imidazoles > 2060061-62-1
2060061-62-1 | 1-[2-(1H-imidazol-4-yl)ethyl]piperazine dihydrochloride
CAS No: 2060061-62-1 Catalog No: AG01BR13 MDL No:MFCD30502173
Product Description
Catalog Number:
AG01BR13
Chemical Name:
1-[2-(1H-imidazol-4-yl)ethyl]piperazine dihydrochloride
CAS Number:
2060061-62-1
Molecular Formula:
C9H18Cl2N4
Molecular Weight:
253.1720
MDL Number:
MFCD30502173
IUPAC Name:
1-[2-(1H-imidazol-5-yl)ethyl]piperazine;dihydrochloride
InChI:
InChI=1S/C9H16N4.2ClH/c1(9-7-11-8-12-9)4-13-5-2-10-3-6-13;;/h7-8,10H,1-6H2,(H,11,12);2*1H
InChI Key:
NVKHWKIPZMIEOA-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)CCc1nc[nH]c1.Cl.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
253.171g/mol
Monoisotopic Mass:
252.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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