3,3'-(P-Tosylimino)dipropionitrile
Basic information
- CAS
2619-16-1- Standard SMILES
Cc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1- InChIKey
QQEHNFXDLPBZSJ-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2S
- Average molar mass
- 277.34 g/mol
- Monoisotopic mass
- 277.0884979
Names & identifiers
- Preferred name
- 3,3'-(P-Tosylimino)dipropionitrile
- IUPAC
- N,N-bis(2-cyanoethyl)-4-methylbenzenesulfonamide
- English name
- Benzenesulfonamide,N,N-bis(2-cyanoethyl)-4-methyl-
- Molecular formula
- C13H15N3O2S
- Molecular weight
- 277.3421
Names & synonyms
3,3'-(P-TOSYLIMINO)DIPROPIONITRILERefChem:484931665-868-0n,n-bis(2-cyanoethyl)-4-methylbenzenesulfonamide2619-16-1N,N-Bis(2-cyanoethyl)-4-methylbenzene-1-sulfonamideN1,N1-di(2-cyanoethyl)-4-methylbenzene-1-sulfonamideNSC23220CBKinase1_000111CBKinase1_012511Cambridge id 5155313SCHEMBL11530085
Show more names
Benzenesulfonamide,N,N-bis(2-cyanoethyl)-4-methyl-
DTXSID00949066NSC-23220AKOS001571113DS-010297N,N-Bis(2-cyanoethyl)-p-toluenesulfonamideEU-0033950AB00074636-01SR-01000393550
Database identifiers
- CAS
2619-16-1- PubChem CID
- 229494
- DTXSID
DTXSID00949066- EC Number
- 665-868-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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