1H-1,4-Diazepine, hexahydro-5-methyl-


Chemical Name: 1H-1,4-Diazepine, hexahydro-5-methyl-
CAS Number: 22777-05-5
Product Number: AG00C3WD(AGN-PC-01XQGG)
Synonyms:
MDL No: MFCD09607985
Molecular Formula: C6H14N2
Molecular Weight: 114.1888

Identification/Properties


Properties
BP:
174.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
114.192g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
114.116g/mol
Monoisotopic Mass:
114.116g/mol
Topological Polar Surface Area:
24.1A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
63.5
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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