Basic information
- CAS
22584-31-2- Standard SMILES
N#CCCNCCN- InChIKey
NSQSYCXRUVZPKI-UHFFFAOYSA-N- Molecular formula
- C5H11N3
- Average molar mass
- 113.16 g/mol
- Monoisotopic mass
- 113.09529736
Names & identifiers
- Preferred name
- Propanenitrile, 3-((2-aminoethyl)amino)-
- IUPAC
- 3-(2-aminoethylamino)propanenitrile
- English name
- Propanenitrile, 3-[(2-aminoethyl)amino]-
- Molecular formula
- C5H11N3
- Molecular weight
- 113.16
Names & synonyms
Propanenitrile, 3-[(2-aminoethyl)amino]-4,7-Diazaheptane-1-nitrile2-(2-(Cyanoethyl)aminoethylamine3-[(2-AMINOETHYL)AMINO]PROPANENITRILEEINECS 245-109-6N-(2-Cyanoethyl)-1,2-ethanediamineN-(2-Cyanoethyl)-1,2-ethylenediaminePropanenitrile, 3-((2-aminoethyl)amino)-DTXSID008652373-((2-aminoethyl)amino)propanenitrileRefChem:869028DTXCID50813667
Show more names
3-[(2-aminoethyl)amino]propiononitrile
Propanenitrile, 3-(2-aminoethyl)amino-22584-31-2Propanenitrile,3-[(2-aminoethyl)amino]-3-(2-aminoethylamino)propanenitrilen-(2-cyanoethyl)ethylenediamineN-cyanoethylethylenediamineSCHEMBL1260151AKOS011421729
Database identifiers
- CAS
22584-31-2、25609-52-3- PubChem CID
- 89762
- DTXSID
DTXSID00865237- EC Number
- 245-109-6
- Nikkaji
- J27.756H
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Physicochemical properties
- Boiling point
- 101 °C · 101 °C(Press: 1.5 Torr)
- Density
- 0.9912 g/cm3 · 0.9912 g/cm3
- pka
- 9.54 · 9.54±0.10(Predicted)
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(2-aminoethyl)amino]- (22584-31-2)
- 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.
Hazard information
Regulatory InformationPropanenitrile, 3-(2-aminoethyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(2-aminoethyl)amino]-: ACTIVE
Related reactions
1 records
Compound notes
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