3-(Cyclohexylamino)propanenitrile

C9H16N2CAS 702-03-4152.24 g/mol

Open in Covalent MOL file
NHN
NitrileSecondary amine

Properties

Molecular formula
C9H16N2
Molar mass
152.24 g/mol
Exact mass
152.1313 Da
Boiling point
149–151 °C (at 11 Torr)
logP
1.82Crippen estimate
Polar surface area
35.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 146 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
702-03-4
SMILES
N#CCCNC1CCCCC1
InChIKey
OLUJYRYCQHJDKJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-6,8H2

Weigh it out

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

Names and synonyms

6 names
  • Propanenitrile, 3-(cyclohexylamino)-
  • Propionitrile, 3-(cyclohexylamino)-
  • N-(2-Cyanoethyl)cyclohexylamine
  • 3-(Cyclohexylamino)propionitrile
  • N-(2-Cyanoethyl)-N-cyclohexylamine
  • 3-Cyclohexylaminopropiononitrile

Work with 3-(Cyclohexylamino)propanenitrile

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-(Cyclopropylamino)propionitrile58196-47-778 % similar 2-(Cyclohexylamino)ethanol2842-38-846 % similar N-Cyclohexyl-1,3-propanediamine3312-60-545 % similar Idpn (chemical)111-94-444 % similar Nonanedinitrile1675-69-042 % similar Sebaconitrile1871-96-142 % similar Dodecanedinitrile4543-66-242 % similar Octanedinitrile629-40-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,8-Diazabicyclo[5.4.0]undec-7-ene6674-22-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook