Benzyltriethylammonium

HCID 17208CAS 16652-03-2
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Basic information

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 properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
5
Heavy atoms
14

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
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Linked notes

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