Basic information
- Standard SMILES
C[N+](C)(C)Cc1ccccc1- InChIKey
YOUGRGFIHBUKRS-UHFFFAOYSA-N- Molecular formula
- C10H16N+
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.12772593
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Benzyltrimethylammonium
- IUPAC
- benzyl(trimethyl)azanium
- English name
- benzyltrimethylammonium
- Molecular weight
- 0
Names & synonyms
Benzyltrimethylammoniumbenzyl(trimethyl)azanium14800-24-9Benzenemethanaminium, N,N,N-trimethyl-E4UQ9MX22YDTXSID8047977RefChem:119013DTXCID3027954n,n,n-trimethyl(phenyl)methanaminiumN,N,N-TrimethylbenzenemethanaminiumSCHEMBL28168SCHEMBL3340694
Show more names
SCHEMBL8118052CHEMBL1616857YOUGRGFIHBUKRS-UHFFFAOYSA-NBBL011462AKOS002662758NCGC00090720-03NCGC00090720-04NCGC00090720-05
Database identifiers
- CAS
14800-24-9- PubChem CID
- 5964
- DTXSID
DTXSID8047977- ChEMBL
CHEMBL1616857- UNII
- E4UQ9MX22Y
- Nikkaji
- J209.386C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 107
Experimental & physicochemical properties
Collision Cross Section131.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8024600]
Physicochemical properties
- Melting point
- 137 · 137-138 °C
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
166 records
Linked notes
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