Basic information
- CAS
4220-30-8- Standard SMILES
N#CCCN(CCC#N)CC(O)CO- InChIKey
GAPDHXRQKMUCKH-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.11642673
Names & identifiers
- Preferred name
- Propanenitrile, 3,3'-[(2,3-dihydroxypropyl)imino]bis-
- IUPAC
- 3-[2-cyanoethyl(2,3-dihydroxypropyl)amino]propanenitrile
- English name
- 3,3'-[(2,3-dihydroxypropyl)imino]bispropiononitrile
- Molecular formula
- C9H15N3O2
- Molecular weight
- 197.23
Names & synonyms
(2,3-Dihydroxypropyl)bis(2-cyanethyl)amineEINECS 224-162-9Propanenitrile, 3,3'-[(2,3-dihydroxypropyl)imino]bis-2,3-Dihydroxypropylbis(2'-cyanoethyl)amineDTXSID10884050Propanenitrile, 3,3'-((2,3-dihydroxypropyl)imino)bis-RefChem:868997DTXCID0010235224220-30-83,3'-[(2,3-dihydroxypropyl)imino]bispropiononitrile3,3'-((2,3-Dihydroxypropyl)imino)bispropiononitrileSCHEMBL7720644
Show more names
N,N-Bis(2-cyanoethyl)-2,3-dihydroxypropan-1-amine3,3'-[(2,3-Dihydroxypropyl)imino]bispropanenitrile3,3'-[N-(2,3-Dihydroxypropyl)imino]bis(propanenitrile)
GAPDHXRQKMUCKH-UHFFFAOYSA-NNS000497303,3'-[(2,3-Dihydroxypropyl)azanediyl]dipropanenitrile
Database identifiers
- CAS
4220-30-8- PubChem CID
- 107245
- DTXSID
DTXSID10884050
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 445.1 · 445.1±38.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 13.82 · 13.82±0.20(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3,3'-[(2,3-dihydroxypropyl)imino]bis- (4220-30-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3,3'-[(2,3-dihydroxypropyl)imino]bis-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…