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1780628-03-6 | 1-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine
CAS No: 1780628-03-6 Catalog No: AG01BTG1 MDL No:MFCD30185831
Product Description
Catalog Number:
AG01BTG1
Chemical Name:
1-methyl-1H,2H,3H,4H,5H-pyrido[2,3-e][1,4]diazepine
CAS Number:
1780628-03-6
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD30185831
IUPAC Name:
1-methyl-2,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
InChI:
InChI=1S/C9H13N3/c1-12-6-5-10-7-8-3-2-4-11-9(8)12/h2-4,10H,5-7H2,1H3
InChI Key:
UFQXWWKYVBMLOE-UHFFFAOYSA-N
SMILES:
CN1CCNCc2c1nccc2
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:
0.5
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