Basic information
- CAS
6281-14-7- Standard SMILES
C1CCC(N2CN(C3CCCCC3)CN(C3CCCCC3)C2)CC1- InChIKey
ZLLRUEJANKJPQE-UHFFFAOYSA-N- Molecular formula
- C21H39N3
- Average molar mass
- 333.6 g/mol
- Monoisotopic mass
- 333.31439826
Names & identifiers
- Preferred name
- 1,3,5-Tricyclohexylhexahydro-1,3,5-triazine
- IUPAC
- 1,3,5-tricyclohexyl-1,3,5-triazinane
- English name
- hexahydro-1,3,5-tricyclohexyl-s-triazine
- Molecular formula
- C21H39N3
- Molecular weight
- 333.55446
Names & synonyms
1,3,5-Tricyclohexyl-1,3,5-triazinane1,3,5-Triazine, 1,3,5-tricyclohexylhexahydro-6281-14-71,3,5-Tricyclohexylhexahydro-s-triazine1,3,5-Tricyclohexylhexahydro-1,3,5-triazine3MDX297BQIs-Triazine, 1,3,5-tricyclohexylhexahydro-NSC-6441EINECS 228-487-7Hexahydro-1,3,5-tricyclohexyl-s-triazineAI3-24643DTXSID8044705
Show more names
1,3, 5-Tricyclohexylhexahydro-s-triazine
NSC 64411,3,5-TRICYCLOHEXYL-1,3,5-TRIAZACYCLOHEXANERefChem:412634DTXCID6024705UNII-3MDX297BQINSC6441SCHEMBL92418461,5-Tricyclohexylhexahydro-s-triazine
Database identifiers
- CAS
6281-14-7- PubChem CID
- 80478
- DTXSID
DTXSID8044705- UNII
- 3MDX297BQI
- EC Number
- 228-487-7
- Nikkaji
- J103.678E
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Henry's Law Constant
- 1.7 · 1.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- FDA UNII
- 3 MDX297BQI · 3MDX297BQI
- EPA Substance Registry System
- 1 · 1,3,5-Triazine, 1,3,5-tricyclohexylhexahydro- (6281-14-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine, 1,3,5-tricyclohexylhexahydro-: INACTIVE
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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