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Home > Imidazoles > 1269054-17-2
1269054-17-2 | 4-(4-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine dihydrate
CAS No: 1269054-17-2 Catalog No: AG00J18I MDL No:MFCD18483393
Product Description
Catalog Number:
AG00J18I
Chemical Name:
4-(4-pyridinyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine dihydrate
CAS Number:
1269054-17-2
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
MDL Number:
MFCD18483393
IUPAC Name:
4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrate
InChI:
InChI=1S/C11H12N4.2H2O/c1-4-12-5-2-8(1)10-11-9(3-6-13-10)14-7-15-11;;/h1-2,4-5,7,10,13H,3,6H2,(H,14,15);2*1H2
InChI Key:
QTYYRGKSVYLELV-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)C1NCCc2c1[nH]cn2.O.O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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