2-amino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carbaldehyde


Chemical Name: 2-amino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carbaldehyde
CAS Number: 35220-26-9
Product Number: AG00CLME(AGN-PC-0JPDUV)
Synonyms:
MDL No:
Molecular Formula: C8H7N3O
Molecular Weight: 161.1607

Identification/Properties


Computed Properties
Molecular Weight:
161.164g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
161.059g/mol
Monoisotopic Mass:
161.059g/mol
Topological Polar Surface Area:
60.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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