chempirical

2-Amino-1-propene-1,1,3-tricarbonitrile

C6H4N4CAS 868-54-2132.13 g/mol

Open in Covalent MOL file
NNH2NN
AlkeneNitrilePrimary amine

Properties

Molecular formula
C6H4N4
Molar mass
132.13 g/mol
Exact mass
132.0436 Da
Melting point
170–173 °C
logP
0.16Crippen estimate
Polar surface area
97.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
868-54-2
SMILES
N#CCC(N)=C(C#N)C#N
InChIKey
BNHGNFYPZNDLAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 1-Propene-1,1,3-tricarbonitrile, 2-amino-
  • U 9189
  • 2-Amino-1,1,3-tricyanopropene
  • 2-Amino-1,1,3-tricyano-1-propene
  • TCAP
  • TRIAP
  • 1,1,3-Tricyano-2-aminopropene
  • 1,1,3-Tricyano-2-amino-1-propene
  • Upjohn 9189
  • Malononitrile, dimer
  • (1-Amino-2-cyanoethylidene)malononitrile
  • NSC 77901
  • 2-Amino-1,1,3-propenetricarbonitrile

Work with 2-Amino-1-propene-1,1,3-tricarbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-1-cyclopentene-1-carbonitrile2941-23-339 % similar Cyanoacetic acid hydrazide140-87-433 % similar Cyanoacetamide107-91-532 % similar Cyanoacetic acid372-09-832 % similar Cyanothioacetamide7357-70-232 % similar Isopropylidenemalononitrile13166-10-432 % similar Tetracyanoquinodimethane1518-16-732 % similar 3-Cyclopropyl-3-oxopropanenitrile118431-88-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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