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1258640-27-5 | 4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS No: 1258640-27-5 Catalog No: AG01AATJ MDL No:MFCD17480426
Product Description
Catalog Number:
AG01AATJ
Chemical Name:
4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS Number:
1258640-27-5
Molecular Formula:
C13H17Cl2N3
Molecular Weight:
286.2002
MDL Number:
MFCD17480426
IUPAC Name:
5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C13H15N3.2ClH/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11;;/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16);2*1H
InChI Key:
UKFKTWLJAOZZPE-UHFFFAOYSA-N
SMILES:
C1CNC(C1)c1[nH]cc(n1)c1ccccc1.Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.2g/mol
Monoisotopic Mass:
285.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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