Basic information
- CAS
13010-31-6- Standard SMILES
CCC[N+](CCC)(CCC)CCC- InChIKey
OSBSFAARYOCBHB-UHFFFAOYSA-N- Molecular formula
- C12H28N+
- Average molar mass
- 186.36 g/mol
- Monoisotopic mass
- 186.22162632
Overview
Tetrapropylammonium is a quarternary ammonium cation with four propyl substituents around the central nitrogen.
Names & identifiers
- Preferred name
- Tetrapropylammonium
- IUPAC
- tetrapropylazanium
- English name
- tetrapropylammonium
- Molecular formula
- C12H28N
- Molecular weight
- 0
Names & synonyms
TetrapropylammoniumTetrapropylamine13010-31-6N,N,N-tripropylpropan-1-aminiumDTXSID6047026CHEBI:55319RefChem:188862DTXCID4027026tetrapropylazaniumCHEMBL2074857N,N,N-tripropyl-1-propanaminiumOSBSFAARYOCBHB-UHFFFAOYSA-N
Show more names
TetrapropylaminiumTetra-n-propylammonium
tetrapropyl ammonium1-Propanaminium, N,N,N-tripropyl-TAA3SCHEMBL59838SCHEMBL4085285SCHEMBL9081304BDBM50420179NS00005169
Database identifiers
- CAS
13010-31-6- PubChem CID
- 9559
- DTXSID
DTXSID6047026- ChEMBL
CHEMBL2074857- ChEBI
CHEBI:55319- Nikkaji
- J91.254I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 80.2
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Ionization Efficiency
Positive
4.89
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
146.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7052107]
144 Ų [M]+ [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 217 °C · 217 °C
Chemistry & industry
Additional notes
DefinitionChEBI: A quarternary ammonium cation with four propyl substituents around the central nitrogen.
Related reactions
217 records
Compound notes
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