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86646-88-0 | Imidazo[4,5-d][1,3]diazepin-8(4H)-ol,7,8-dihydro-3-[(2-hydroxyethoxy)methyl]-
CAS No: 86646-88-0 Catalog No: AG004KXQ MDL No:
Product Description
Catalog Number:
AG004KXQ
Chemical Name:
Imidazo[4,5-d][1,3]diazepin-8(4H)-ol,7,8-dihydro-3-[(2-hydroxyethoxy)methyl]-
CAS Number:
86646-88-0
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
3-(2-hydroxyethoxymethyl)-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
InChI:
InChI=1S/C9H14N4O3/c14-1-2-16-6-13-5-12-8-7(15)3-10-4-11-9(8)13/h4-5,7,14-15H,1-3,6H2,(H,10,11)
InChI Key:
MRYMQZBPHUXBOH-UHFFFAOYSA-N
SMILES:
OCCOCn1cnc2c1N=CNCC2O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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