Basic information
- CAS
94681-93-3- Standard SMILES
CCCCCC(C)=Nc1ccc(N=C(C)CCCCC)cc1- InChIKey
ZLFGKJQADVGIFQ-UHFFFAOYSA-N- Molecular formula
- C20H32N2
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.25654903
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N,N'-bis(1-methylhexylidene)-
- IUPAC
- N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine
Names & synonyms
94681-93-31,4-Benzenediamine, N,N'-bis(1-methylhexylidene)-RefChem:415882815-065-8(2E,2'E)-N,N'-(1,4-Phenylene)di(heptan-2-imine)DTXSID40759207ZLFGKJQADVGIFQ-UHFFFAOYSA-N
Database identifiers
- CAS
94681-93-3- PubChem CID
- 71330516
- DTXSID
DTXSID40759207- EC Number
- 815-065-8
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Physical DescriptionLiquid
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]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenediamine, N,N'-bis(1-methylhexylidene)-
1,4-Benzenediamine, N1,N4-bis(1-methylhexylidene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediamine, N1,N4-bis(1-methylhexylidene)- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesSealant (barrier)
General Manufacturing Information
Paint and Coating Manufacturing
1,4-Benzenediamine, N1,N4-bis(1-methylhexylidene)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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