Propanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-
Basic information
- CAS
68975-80-4- Standard SMILES
CC(CN)CC(C)(C)CCNCCC#N- InChIKey
CXXHKLBKHPAMQM-UHFFFAOYSA-N- Molecular formula
- C12H25N3
- Average molar mass
- 211.35 g/mol
- Monoisotopic mass
- 211.20484781
Names & identifiers
- Preferred name
- Propanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-
- IUPAC
- 3-[(6-amino-3,3,5-trimethylhexyl)amino]propanenitrile
- English name
- 3-[(6-amino-3,3,5-trimethylhexyl)amino]propiononitrile
- Molecular formula
- C12H25N3
- Molecular weight
- 211.347
Names & synonyms
EINECS 273-478-3N-(2-Cyanoethyl)-3,3,5-trimethylhexane-1,6-diaminePropanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-DTXSID00867791Propanenitrile, 3-((6-amino-3,3,5-trimethylhexyl)amino)-RefChem:869071DTXCID5081594968975-80-43-[(6-amino-3,3,5-trimethylhexyl)amino]propanenitrile3-((6-amino-3,3,5-trimethylhexyl)amino)propanenitrileCXXHKLBKHPAMQM-UHFFFAOYSA-NNS00062443
Show more names
3-[(6-amino-3,3,5-trimethylhexyl)amino]propiononitrile
3-((6-Amino-3,3,5-trimethylhexyl)amino)propiononitrile
Database identifiers
- CAS
68975-80-4- PubChem CID
- 112128
- DTXSID
DTXSID00867791- EC Number
- 273-478-3
- Nikkaji
- J310.659D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]- (68975-80-4)
- RIDADR
- 1760 · 1760
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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 InformationChemical: Propanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-
Safety data
- tsca
- TSCA listed
- ridadr
- 1760
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(6-amino-3,3,5-trimethylhexyl)amino]-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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