Basic information
- CAS
105-28-2- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1- InChIKey
NCVGSSQICKMAIA-UHFFFAOYSA-N- Molecular formula
- C20H40N2
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.31914928
Names & identifiers
- Preferred name
- 2-Heptadecylimidazoline
- IUPAC
- 2-heptadecyl-4,5-dihydro-1H-imidazole
- English name
- 2-Heptadecyl-4,5-dihydro-1H-imidazole
- Molecular formula
- C20H40N2
- Molecular weight
- 308.55
Names & synonyms
105-28-22-HeptadecylimidazolineGlyodin baseNSC-424NZ428Y1537RefChem:1063260203-283-02-Heptadecyl-2-imidazolineGlyoxide2-Heptadecyl-4,5-dihydro-1H-imidazoleGliodin2-Heptadecylglyoxalidine
Show more names
cragfruitfungicide342-heptadecyl-2-imidazolin2-Heptadecyl-1-imidazoline2-n-heptadecyl-2-imidazoline
Crag fruit fungicide 341H-Imidazole, 2-heptadecyl-4,5-dihydro-2-IMIDAZOLINE, 2-HEPTADECYL-4,5-Dihydro-2-heptadecyl-1H-imidazoleNSC 4242-N-HEPTADECYL-2-IMIDAZOLINE, 99Caswell No. 474E2-Heptadecyl glyoxalidine
Database identifiers
- CAS
105-28-2- PubChem CID
- 7744
- DTXSID
DTXSID0043769- UNII
- NZ428Y1537
- EC Number
- 203-283-0
- Nikkaji
- J40.922G
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 94 · 94-95 °C
- Boiling point
- 438.92 °C · 438.92°C (rough estimate)
- Density
- 0.9055 · 0.9055 (rough estimate)
- refractive index
- 1.564 · 1.5640 (estimate)
- pka
- 10.93 · 10.93±0.40(Predicted)
- CAS DataBase Reference
- 105 · 105-28-2
- FDA UNII
- 428 Y1537 · NZ428Y1537
- EPA Substance Registry System
- Glyoxide (105-28-2)
- 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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazole, 2-heptadecyl-4,5-dihydro-: ACTIVE
Applications
UsesFungicide.
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
1 records
Compound notes
Loading…