Benzyltriethylammonium
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Basic information
- CAS
16652-03-2- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1- InChIKey
VBQDSLGFSUGBBE-UHFFFAOYSA-N- Molecular formula
- C13H22N+
- Average molar mass
- 192.32 g/mol
- Monoisotopic mass
- 192.17467612
Overview
a surface-active agent
Names & identifiers
- Preferred name
- Benzyltriethylammonium
- IUPAC
- benzyl(triethyl)azanium
- English name
- benzyl-triethyl-azanium
- Molecular formula
- C13H22N+
- Molecular weight
- 0
Names & synonyms
benzyltriethylammoniumTriethylbenzylammonium16652-03-2Ammonium, benzyltriethyl-QS1AQC1A39DTXSID40168118RefChem:917010DTXCID2090609benzyl(triethyl)azaniumN-Benzyl-N,N-DiethylethanaminiumBENZYLTRIETHYLAZANIUMBenzenemethanaminium, N,N,N-triethyl-
Show more names
UNII-QS1AQC1A39BENZYL-TRIETHYL-AZANIUMbenzyl triethylammonium2q9ySCHEMBL81238SCHEMBL4350586BENZYLTRIETHYLAMMONIUM IONCHEMBL1231492
Database identifiers
- CAS
16652-03-2- PubChem CID
- 17208
- DTXSID
DTXSID40168118- ChEMBL
CHEMBL1231492- UNII
- QS1AQC1A39
- Nikkaji
- J215.726H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 135
Experimental & physicochemical properties
Collision Cross Section143.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9021710]
Physicochemical properties
- FDA UNII
- 1 AQC1A39 · QS1AQC1A39
Related reactions
334 records
Compound notes
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