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1315367-90-8 | 4-(3-methylphenyl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS No: 1315367-90-8 Catalog No: AG01AJ9F MDL No:MFCD19382173
Product Description
Catalog Number:
AG01AJ9F
Chemical Name:
4-(3-methylphenyl)-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride
CAS Number:
1315367-90-8
Molecular Formula:
C14H19Cl2N3
Molecular Weight:
300.2268
MDL Number:
MFCD19382173
IUPAC Name:
5-(3-methylphenyl)-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C14H17N3.2ClH/c1-10-4-2-5-11(8-10)13-9-16-14(17-13)12-6-3-7-15-12;;/h2,4-5,8-9,12,15H,3,6-7H2,1H3,(H,16,17);2*1H
InChI Key:
GZZDGTYEDOJLBV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1c[nH]c(n1)C1CCCN1.Cl.Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.227g/mol
Monoisotopic Mass:
299.096g/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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