Home Other Building Blocks Tert-Butyl 2,3-Dihydro-1H-Pyrido[2,3-E][1,4]Diazepine-4(5H)-Carboxylate

Tert-Butyl 2,3-Dihydro-1H-Pyrido[2,3-E][1,4]Diazepine-4(5H)-Carboxylate

CAS No.:
1935935-59-3
Catalog Number:
AG01DLGZ
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
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Product Description
Catalog Number:
AG01DLGZ
Chemical Name:
Tert-Butyl 2,3-Dihydro-1H-Pyrido[2,3-E][1,4]Diazepine-4(5H)-Carboxylate
CAS Number:
1935935-59-3
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
tert-butyl 1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-4-carboxylate
InChI:
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-8-7-15-11-10(9-16)5-4-6-14-11/h4-6H,7-9H2,1-3H3,(H,14,15)
InChI Key:
MGXHPCBQOGQOAI-UHFFFAOYSA-N
SMILES:
O=C(N1CCNc2c(C1)cccn2)OC(C)(C)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties