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Home > Pyridines > 1184637-59-9
1184637-59-9 | 4-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine
CAS No: 1184637-59-9 Catalog No: AG01B7HX MDL No:MFCD18836765
Product Description
Catalog Number:
AG01B7HX
Chemical Name:
4-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine
CAS Number:
1184637-59-9
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD18836765
IUPAC Name:
4-methyl-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine
InChI:
InChI=1S/C9H13N3/c1-12-6-5-11-9-8(7-12)3-2-4-10-9/h2-4H,5-7H2,1H3,(H,10,11)
InChI Key:
SSOGRSKWGKSPAX-UHFFFAOYSA-N
SMILES:
CN1CCNc2c(C1)cccn2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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