Propanenitrile, 3-[bis[3-(dimethylamino)propyl]amino]-
Basic information
- CAS
64971-37-5- Standard SMILES
CN(C)CCCN(CCC#N)CCCN(C)C- InChIKey
WAJVSONFDQROAZ-UHFFFAOYSA-N- Molecular formula
- C13H28N4
- Average molar mass
- 240.39 g/mol
- Monoisotopic mass
- 240.23139691
Names & identifiers
- Preferred name
- Propanenitrile, 3-[bis[3-(dimethylamino)propyl]amino]-
- IUPAC
- 3-[bis[3-(dimethylamino)propyl]amino]propanenitrile
Names & synonyms
64971-37-5Propanenitrile, 3-[bis[3-(dimethylamino)propyl]amino]-DTXSID90338182Propanenitrile, 3-(bis(3-(dimethylamino)propyl)amino)-RefChem:374538DTXCID70289269812-235-3Propionitrile, 3-di(3-dimethylaminopropyl)amino-SCHEMBL110502332-cyanoethyl-bis(dimethylaminopropyl)amine3-(Bis[3-(dimethylamino)propyl]amino)propanenitrile #3-{BIS[3-(DIMETHYLAMINO)PROPYL]AMINO}PROPANENITRILE
Database identifiers
- CAS
64971-37-5- PubChem CID
- 547296
- DTXSID
DTXSID90338182- EC Number
- 812-235-3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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