Basic information
- CAS
500337-42-8- Standard SMILES
CCCCCC#CCN(CCC)CCC- InChIKey
ZAXKUQXMGGOXPF-UHFFFAOYSA-N- Molecular formula
- C14H27N
- Average molar mass
- 209.37 g/mol
- Monoisotopic mass
- 209.21434987
Names & identifiers
- Preferred name
- N,N-Dipropyl-2-Octyn-1-Amine
- IUPAC
- N,N-dipropyloct-2-yn-1-amine
Names & synonyms
N,N-DIPROPYL-2-OCTYN-1-AMINERefChem:822663112-070-0500337-42-8NSC34145NSC-34145
Database identifiers
- CAS
500337-42-8- PubChem CID
- 234366
- EC Number
- 112-070-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
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]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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