N,N'-Bis(2-cyanoethyl)ethylenediamine
Basic information
- CAS
3217-00-3- Standard SMILES
N#CCCNCCNCCC#N- InChIKey
RHRVANRKEISTIR-UHFFFAOYSA-N- Molecular formula
- C8H14N4
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.12184646
Names & identifiers
- Preferred name
- N,N'-Bis(2-cyanoethyl)ethylenediamine
- IUPAC
- 3-[2-(2-cyanoethylamino)ethylamino]propanenitrile
- English name
- 3,3'-(ethylenediimino)bispropiononitrile
- Molecular formula
- C8H14N4
- Molecular weight
- 166.22
Names & synonyms
3217-00-3Propanenitrile, 3,3'-(1,2-ethanediyldiimino)bis-3,3'-(Ethylenediimino)bispropiononitrile4,7-Diazadecane-1,10-dinitrile1,2-Bis(2-cyanoethylamino)ethaneN,N'-Bis(2-cyanoethyl)ethylenediamineVL6H50RQF4Propionitrile, 3,3'-(ethylenediimino)di-NSC 4412NSC-4412EINECS 221-738-1N,N'-(beta-Cyanoethyl)ethylenediamine
Show more names
3,3'-(Ethylenebisimino)bispropanenitrile3,3'-[(1,2-Ethanediyl)bisimino]bis(propanenitrile)3-({2-[(2-cyanoethyl)amino]ethyl}amino)propanenitrile
N,N'-(.beta.-Cyanoethyl)ethylenediamineN,N-Bis-(beta-cyanoethyl)ethylene diamineN,N'-Bis(2-cyanoethyl)-1,2-ethanediamineDTXSID1062910N,N'-Di(2-cyanoethyl)-1,2-ethylenediamineEC 221-738-1N,N-BIS(.BETA.-CYANOETHYL)ETHYLENEDIAMINE3,3'-(1,2-ETHANEDIYLDIIMINO)BIS(PROPANENITRILE)
Database identifiers
- CAS
3217-00-3- PubChem CID
- 76685
- DTXSID
DTXSID1062910- UNII
- VL6H50RQF4
- EC Number
- 221-738-1
- Nikkaji
- J262.323D
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 174 °C · 174 °C(Press: 1.5 Torr)
- Density
- 1.0256 g/cm3 · 1.0256 g/cm3
- pka
- 8.21 · 8.21±0.19(Predicted)
- FDA UNII
- 6 H50RQF4 · VL6H50RQF4
- EPA Substance Registry System
- 3 · Propanenitrile, 3,3'-(1,2-ethanediyldiimino)bis- (3217-00-3)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.
Not Classified
Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Propanenitrile, 3,3'-(1,2-ethanediyldiimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanenitrile, 3,3'-(1,2-ethanediyldiimino)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 3,3'-(ethylenediimino)bispropiononitrile (EC: 221-738-1)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanenitrile, 3,3'-(1,2-ethanediyldiimino)bis-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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