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Home > Imidazoles > 951627-04-6
951627-04-6 | 6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS No: 951627-04-6 Catalog No: AG00J355 MDL No:MFCD09832131
Product Description
Catalog Number:
AG00J355
Chemical Name:
6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CAS Number:
951627-04-6
Molecular Formula:
C7H11N3
Molecular Weight:
137.1823
MDL Number:
MFCD09832131
IUPAC Name:
6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
InChI:
InChI=1S/C7H11N3/c1-2-8-4-7-5-9-6-10(7)3-1/h5-6,8H,1-4H2
InChI Key:
ROBUFWGBHVMREY-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)cnc2
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.186g/mol
Monoisotopic Mass:
137.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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