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Home > Imidazoles > 1609400-70-5
1609400-70-5 | 1-(2-pyrrolidinylmethyl)-1H-imidazole dihydrochloride
CAS No: 1609400-70-5 Catalog No: AG00J1G0 MDL No:MFCD13193955
Product Description
Catalog Number:
AG00J1G0
Chemical Name:
1-(2-pyrrolidinylmethyl)-1H-imidazole dihydrochloride
CAS Number:
1609400-70-5
Molecular Formula:
C8H15Cl2N3
Molecular Weight:
224.1308
MDL Number:
MFCD13193955
IUPAC Name:
1-(pyrrolidin-2-ylmethyl)imidazole;dihydrochloride
InChI:
InChI=1S/C8H13N3.2ClH/c1-2-8(10-3-1)6-11-5-4-9-7-11;;/h4-5,7-8,10H,1-3,6H2;2*1H
InChI Key:
YJKBWOVIFUIHAQ-UHFFFAOYSA-N
SMILES:
C1CNC(C1)Cn1cncc1.Cl.Cl
Properties
Complexity:
127
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:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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