Basic information
- CAS
16731-68-3- Standard SMILES
CCCCCCCCCCCc1ncc[nH]1- InChIKey
LLEASVZEQBICSN-UHFFFAOYSA-N- Molecular formula
- C14H26N2
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.20959884
Names & identifiers
- Preferred name
- 1H-Imidazole, 2-undecyl-
- IUPAC
- 2-undecyl-1H-imidazole
- English name
- 2-N-UNDECYLIMIDAZOLE
- Molecular formula
- C14H26N2
- Molecular weight
- 222.37
Names & synonyms
Show more names
Database identifiers
- CAS
16731-68-3- PubChem CID
- 85582
- DTXSID
DTXSID5066114- EC Number
- 240-796-9
- Nikkaji
- J183.802D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 69 · 69-74 °C (dec.)(lit.)
- Boiling point
- 215 °C20 · 215 °C20 mm Hg(lit.)
- Density
- 0.97 · 0.9700 (rough estimate)
- refractive index
- 1.475 · 1.4750 (estimate)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.4 · 14.40±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h12-13H,2-11H2,1H3,(H,15,16)
- InChIKey
- LLEASVZEQBICSN-UHFFFAOYSA-N
- SMILES
- C1(CCCCCCCCCCC)NC=CN=1
- CAS DataBase Reference
- 16731 · 16731-68-3(CAS DataBase Reference)
- EPA Substance Registry System
- 1 H-Imidazole, · 1H-Imidazole, 2-undecyl- (16731-68-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2933.29 · 2933.29.9000
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1H-Imidazole, 2-undecyl-
1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: 1H-Imidazole, 2-undecyl-
1H-Imidazole, 2-undecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933.29.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Applications
Uses2-n-undecylimidazole is an important organic compound that can be used as a catalyst for the synthesis of high thermal conductive composite membranes.
Suppliers100 total
Related reactions
Compound notes
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