Basic information
- CAS
68083-39-6- Standard SMILES
CC(C)c1cc(C(C)C)c(N=C=Nc2c(C(C)C)cc(C(C)C)c(N=C=O)c2C(C)C)c(C(C)C)c1N=C=O- InChIKey
ZVVVXWVFRZDTFL-UHFFFAOYSA-N- Molecular formula
- C33H44N4O2
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.34642666
Names & identifiers
- Preferred name
- Benzenamine, N,N'-methanetetraylbis[3-isocyanato-2,4,6-tris(1-methylethyl)-
- IUPAC
- N,N'-bis[3-isocyanato-2,4,6-tri(propan-2-yl)phenyl]methanediimine
Names & synonyms
Bis(2,4,6-triisopropyl-3-isocyanatophenyl)carbodiimideEINECS 268-388-6DTXSID4071057Benzenamine, N,N'-methanetetraylbis[3-isocyanato-2,4,6-tris(1-methylethyl)-Benzenamine, N,N'-methanetetraylbis(3-isocyanato-2,4,6-tris(1-methylethyl)-RefChem:561932DTXCID204549068083-39-6ZVVVXWVFRZDTFL-UHFFFAOYSA-NN,N'-bis[3-isocyanato-2,4,6-tri(propan-2-yl)phenyl]methanediimineNS00036393N,N'-Methanetetraylbis(3-isocyanato-2,4,6-triisopropylaniline)
Database identifiers
- CAS
68083-39-6- PubChem CID
- 106508
- DTXSID
DTXSID4071057- EC Number
- 268-388-6
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 858
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,N'-methanetetraylbis[3-isocyanato-2,4,6-tris(1-methylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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