2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
Basic information
- CAS
3528-63-0- Standard SMILES
CCCCCCCCC=CCCCCCCCC1=NCCN1CCN- InChIKey
DLIZJCBWTRNYKF-UHFFFAOYSA-N- Molecular formula
- C22H43N3
- Average molar mass
- 349.6 g/mol
- Monoisotopic mass
- 349.34569838
Overview
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Names & identifiers
- Preferred name
- 2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
- IUPAC
- 2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
- English name
- 2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
- Molecular formula
- C22H43N3
- Molecular weight
- 349.6
Names & synonyms
3528-63-0SCHEMBL2172002-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamineNS000199752-[2-(heptadec-8-en-1-yl)-4,5-dihydro-1H-imidazol-1-yl]ethan-1-amineEinecs 222-551-82-(8-Heptadecenyl)-2-imidazoline-1-ethaneamine1-(2-Aminoethyl)-2-(8-heptadecenyl)-2-imidazoline2-(8-Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanamine2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine1H-Imidazole-1-ethanamine, 2-(8-heptadecenyl)-4,5-dihydro-1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
Show more names
2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
Database identifiers
- CAS
3528-63-0- PubChem CID
- 88595
- DTXSID
DTXSID7063057
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 490.6 · 490.6±34.0 °C(Predicted)
- Density
- 0.94 · 0.94±0.1 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.60(Predicted)
- EPA Substance Registry System
- 1 · 1-(2-Aminoethyl)-2-(8-heptadecenyl)-2-imidazoline (3528-63-0)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H410-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P273-P391-P501
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H314-H410-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P273-P391-P501
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Compound notes
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