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1955555-00-6 | 2-(pyrrolidin-3-yl)-1H-imidazole dihydrochloride
CAS No: 1955555-00-6 Catalog No: AG01C5I9 MDL No:MFCD28893652
Product Description
Catalog Number:
AG01C5I9
Chemical Name:
2-(pyrrolidin-3-yl)-1H-imidazole dihydrochloride
CAS Number:
1955555-00-6
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD28893652
IUPAC Name:
2-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C7H11N3.2ClH/c1-2-8-5-6(1)7-9-3-4-10-7;;/h3-4,6,8H,1-2,5H2,(H,9,10);2*1H
InChI Key:
WJXCEZOOKHMJQL-UHFFFAOYSA-N
SMILES:
C1NCC(C1)c1ncc[nH]1.Cl.Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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