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Home > Pyridines > 1873249-50-3
1873249-50-3 | 3,3-dimethyl-1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS No: 1873249-50-3 Catalog No: AG01EJ5Z MDL No:MFCD30311321
Product Description
Catalog Number:
AG01EJ5Z
Chemical Name:
3,3-dimethyl-1H,2H,3H,4H,5H-pyrido[3,4-b][1,4]diazepin-2-one
CAS Number:
1873249-50-3
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
MDL Number:
MFCD30311321
IUPAC Name:
3,3-dimethyl-4,5-dihydro-1H-pyrido[3,4-b][1,4]diazepin-2-one
InChI:
InChI=1S/C10H13N3O/c1-10(2)6-12-8-5-11-4-3-7(8)13-9(10)14/h3-5,12H,6H2,1-2H3,(H,13,14)
InChI Key:
JEDCWUHNDDBDBD-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccncc2NCC1(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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