chempirical

Idpn (chemical)

C6H9N3CAS 111-94-4123.16 g/mol

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NNHN
NitrileSecondary amine

Properties

Molecular formula
C6H9N3
Molar mass
123.16 g/mol
Exact mass
123.0796 Da
Density
1.0165 g/mL (at 30 °C)
Melting point
−5.5 °C
Boiling point
173 °C (at 10 Torr)
logP
0.40Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
111-94-4
SMILES
N#CCCNCCC#N
InChIKey
SBAJRGRUGUQKAF-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2

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Names and synonyms

18 names · show all
  • Propanenitrile, 3,3′-iminobis-
  • Propionitrile, 3,3′-iminodi-
  • 3,3′-Iminobis[propanenitrile]
  • BBCE
  • N,N-Bis(2-cyanoethyl)amine
  • Bis(β-cyanoethyl)amine
  • Di(2-cyanoethyl)amine
  • IDPN
  • 3,3′-Iminodipropionitrile
  • β,β′-Iminodipropionitrile
  • Ethanamine, 2-cyano-N-(2-cyanoethyl)-
  • Bis(2-cyanoethyl)amine
  • 3,3′-Iminobis(propionitrile)
  • Iminobis(propionitrile)
  • NSC 7770
  • 3-(2-Cyanoethylamino)propanenitrile
  • 3-(2-Cyano-ethylamino)propionitrile
  • 3,3′-Iminodipropiononitrile

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Similar compounds

3-(Octylamino)propanenitrile29504-89-058 % similar 3-(Methylamino)propanenitrile693-05-055 % similar Succinonitrile110-61-253 % similar N-(2-Cyanoethyl)glycine3088-42-450 % similar 3-[(1,1-Dimethylethyl)amino]propanenitrile21539-53-748 % similar Adiponitrile111-69-347 % similar Dodecanedinitrile4543-66-244 % similar Iminodiacetonitrile628-87-544 % similar

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

Same formula

3,6-Dimethylpyrazin-2-amine13134-38-8 2-(Aminomethyl)-5-methylpyrazine132664-85-8 2,6-Dimethyl-4-pyrimidinamine461-98-3 2-Amino-4,6-dimethylpyrimidine767-15-7

Elsewhere

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