n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
Basic information
- CAS
59117-55-4- Standard SMILES
CCN(CC)CC=C(C)CCC=C(C)C- InChIKey
XDEJHXKVKISANH-UHFFFAOYSA-N- Molecular formula
- C14H27N
- Average molar mass
- 209.37 g/mol
- Monoisotopic mass
- 209.21434987
Names & identifiers
- Preferred name
- n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine
- IUPAC
- N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
- English name
- N,N-Diethyl-3,7-dimethyl-2,6-octadiene-1-amine
- Molecular formula
- C14H27N
- Molecular weight
- 209.37
Names & synonyms
59117-55-4RefChem:822282n,n-Diethyl-3.7-dimethyl-2.6-octadiene-1-amine813-483-5SCHEMBL635913XDEJHXKVKISANH-UHFFFAOYSA-NDB-255512N,N-diethyl-3,7-dimethyl-2,6-octadienylamineN,N-diethyl-3,7-dimethyl-2,6-octadien-1-amine(E)-N,N-Diethyl-3,7-dimethyl-2,6-octadiene-1-amineN,N-Diethyl-3,7-dimethyl-2,6-octadiene-1-amine2,6-Octadien-1-amine, N,N-diethyl-3,7-dimethyl-
Show more names
N,N-Diethyl-3,7-dimethylocta-2,6-dien-1-ylamine
Database identifiers
- CAS
59117-55-4- PubChem CID
- 324495
- EC Number
- 813-483-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 277.6 · 277.6±19.0 °C(Predicted)
- Density
- 0.825 · 0.825±0.06 g/cm3(Predicted)
- pka
- 10.07 · 10.07±0.25(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H317-H314
- 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
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H226-H317-H314
- 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
Suppliers
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Related reactions
1 records
Compound notes
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