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41038-70-4 | 6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CAS No: 41038-70-4 Catalog No: AG01BS82 MDL No:MFCD01690800
Product Description
Catalog Number:
AG01BS82
Chemical Name:
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CAS Number:
41038-70-4
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
MDL Number:
MFCD01690800
IUPAC Name:
6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
InChI:
InChI=1S/C9H12N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h3,5,7H,1-2,4,6H2,(H,10,11)
InChI Key:
TYUNYXYPNUPGGI-UHFFFAOYSA-N
SMILES:
C1CCc2c(NC1)nccc2
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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