2-Butenedinitrile, 2,3-diamino-, (2Z)-


Chemical Name: 2-Butenedinitrile, 2,3-diamino-, (2Z)-
CAS Number: 1187-42-4
Product Number: AG0032XF(AGN-PC-0NZOCG)
Synonyms:
MDL No:
Molecular Formula: C4H4N4
Molecular Weight: 108.1014

Identification/Properties


Properties
MP:
178-179°C
BP:
192.71°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Refractive Index:
1.6260 (estimate)
Solubility:
5000mg/l
Computed Properties
Molecular Weight:
108.104g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
108.044g/mol
Monoisotopic Mass:
108.044g/mol
Topological Polar Surface Area:
99.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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