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1989659-67-7 | "1-[(pyrrolidin-2-yl)methyl]-1H-1,2,3-triazole dihydrochloride"
CAS No: 1989659-67-7 Catalog No: AG01FLXK MDL No:MFCD30342697
Product Description
Catalog Number:
AG01FLXK
Chemical Name:
"1-[(pyrrolidin-2-yl)methyl]-1H-1,2,3-triazole dihydrochloride"
CAS Number:
1989659-67-7
Molecular Formula:
C7H14Cl2N4
Molecular Weight:
225.1189
MDL Number:
MFCD30342697
IUPAC Name:
1-(pyrrolidin-2-ylmethyl)triazole;dihydrochloride
InChI:
InChI=1S/C7H12N4.2ClH/c1-2-7(8-3-1)6-11-5-4-9-10-11;;/h4-5,7-8H,1-3,6H2;2*1H
InChI Key:
FREZOOVYKSDTES-UHFFFAOYSA-N
SMILES:
C1CNC(C1)Cn1nncc1.Cl.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.117g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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