Basic information
- CAS
4729-88-8- Standard SMILES
CCN(CC)CCC(C)C.Cl- InChIKey
UOXNHVPNDPMEBL-UHFFFAOYSA-N- Molecular formula
- C9H22ClN
- Average molar mass
- 179.73 g/mol
- Monoisotopic mass
- 179.1440774
Names & identifiers
- Preferred name
- Triethylamine, 2-isopropyl-, hydrochloride
- IUPAC
- N,N-diethyl-3-methylbutan-1-amine;hydrochloride
Names & synonyms
Substanz NR. 338 [German]Substanz NR. 338Triethylamine, 2-isopropyl-, hydrochlorideN,N-Diethyl-2-isopropoxyethylamine hydrochloride4729-88-8beta-Diaethylaminoaethyl-isopropyl-aether hydrochlorid [German]DTXSID40197084beta-Diaethylaminoaethyl-isopropyl-aether hydrochloridRefChem:386233DTXCID50119575N,N-Diethyl-3-methylbutan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
4729-88-8- PubChem CID
- 199671
- DTXSID
DTXSID40197084
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 65.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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