1H-1,4-Diazepine-1-carboxaldehyde, hexahydro-


Chemical Name: 1H-1,4-Diazepine-1-carboxaldehyde, hexahydro-
CAS Number: 29053-62-1
Product Number: AG002X6V(AGN-PC-0LW4L9)
Synonyms:
MDL No:
Molecular Formula: C6H12N2O
Molecular Weight: 128.1723

Identification/Properties


Properties
BP:
268.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
128.175g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
128.095g/mol
Monoisotopic Mass:
128.095g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
95.1
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:
Danger
UN#:
2735
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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