Basic information
- CAS
133256-59-4- Standard SMILES
CN1CCCN(C)CCCN(C)CCC1- InChIKey
LRPVVAOGGZFVFO-UHFFFAOYSA-N- Molecular formula
- C12H27N3
- Average molar mass
- 213.36 g/mol
- Monoisotopic mass
- 213.22049787
Names & identifiers
- Preferred name
- 1,5,9-Trimethyl-1,5,9-triazacyclododecane
- IUPAC
- 1,5,9-trimethyl-1,5,9-triazacyclododecane
- English name
- 1,5,9-Trimethyl-1,5,9-triazacyclododecane
- Molecular formula
- C12H27N3
- Molecular weight
- 213.36
Names & synonyms
1,5,9-Trimethyl-1,5,9-triazacyclododecane133256-59-4DTXSID901272631RefChem:417089DTXCID901703206683-626-21,5,9-Triazacyclododecane, 1,5,9-trimethyl-SCHEMBL152779DB-042171InChI=1/C12H27N3/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h4-12H2,1-3HBUTTPARK 8\03-091,5,9-TRIMETHYL-1,5,9-CYCLODODECANE
Show more names
1 5 9-TRIMETHYL-1 5 9-TRIAZACYCLO- &
Database identifiers
- CAS
133256-59-4- PubChem CID
- 398744
- DTXSID
DTXSID901272631- EC Number
- 683-626-2
- Nikkaji
- J351.558C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 58 · 58-60 °C0.1 mm Hg(lit.)
- Density
- 0.91 g/mL · 0.91 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.483(lit.)
- Flash point
- 108 °C · 108 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-34
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 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10-34
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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