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)
pKa
5.26 (conjugate acid)
Flash point
110 °C
Water solubility
≥ 100 g/L (20 °C)
logP
0.40Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

19 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
  • 3,3'-Iminodipropionitrile

Work with Idpn (chemical)

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

3-(Butylamino)propionitrile693-51-664 % similar 3-(Octylamino)propiononitrile29504-89-058 % similar (2-Cyanoethyl)hydrazine353-07-155 % similar 3-(Methylamino)propanenitrile693-05-055 % similar 3-(Piperazin-1-yl)propanenitrile34064-86-355 % similar Succinonitrile110-61-253 % similar N-(2-Cyanoethyl)glycine3088-42-450 % similar 3-(Cyclopropylamino)propionitrile58196-47-750 % 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 3-Cyclopropyl-1H-pyrazol-5-amine175137-46-9 2,6-Dimethyl-4-pyrimidinamine461-98-3 4-Methylpyridine-2,3-diamine53929-59-2 5H,6H,7H,8H-Imidazo[1,2-a]pyrimidine67139-22-4 4,5,6,7-Tetrahydro-1H-imidazo[4,5-C]pyridine6882-74-2 2-Amino-4,6-dimethyl pyrimidine767-15-7

Elsewhere

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