Diethylcyanamide
Properties
- Molecular formula
- C5H10N2
- Molar mass
- 98.15 g/mol
- Exact mass
- 98.0844 Da
- Density
- 0.854 g/mL (at 20 °C)
- Melting point
- −80.6 °C
- Boiling point
- 188 °C
- logP
- 0.81Crippen estimate
- Polar surface area
- 27.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
617-83-4SMILES
CCN(C#N)CCInChIKey
ZZTSQZQUWBFTAT-UHFFFAOYSA-NInChI
InChI=1S/C5H10N2/c1-3-7(4-2)5-6/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Cyanamide, N,N-diethyl-
- Cyanamide, diethyl-
- N,N-Diethylcyanamide
- (Diethylamino)carbonitrile
- N-Cyanodiethylamine
- NSC 7768
Work with Diethylcyanamide
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Pyrrolidine-1-carbonitrile1530-88-745 % similar
2-(Diethylamino)acetonitrile3010-02-439 % similar
N,N-Di-2-propen-1-ylcyanamide538-08-938 % similar
Dimethylcyanamide1467-79-435 % similar
Triethylamine121-44-833 % similar
2-Cyano-N,N-diethylacetamide26391-06-031 % similar
N,N,N′,N′-Tetraethylethylenediamine150-77-630 % similar
N,N-Dimethylethylamine598-56-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.