1H-1,4-Diazepine, hexahydro-1-(2-pyrimidinyl)-


Chemical Name: 1H-1,4-Diazepine, hexahydro-1-(2-pyrimidinyl)-
CAS Number: 21279-57-2
Product Number: AG003D4B(AGN-PC-0KKUOO)
Synonyms:
MDL No:
Molecular Formula: C9H14N4
Molecular Weight: 178.2343

Identification/Properties


Properties
BP:
341.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
178.239g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
178.122g/mol
Monoisotopic Mass:
178.122g/mol
Topological Polar Surface Area:
41A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
145
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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