Completing data — usually done within a minute
Basic information
- CAS
29814-63-9- Standard SMILES
CCCC[N+](C)(CCCC)CCCC- InChIKey
HJHUXWBTVVFLQI-UHFFFAOYSA-N- Molecular formula
- C13H30N+
- Average molar mass
- 200.38 g/mol
- Monoisotopic mass
- 200.23727638
Names & identifiers
- Preferred name
- Tributylmethylammonium
- IUPAC
- tributyl(methyl)azanium
Names & synonyms
TRIBUTYLMETHYLAMMONIUMN,N-dibutyl-N-methylbutan-1-aminium29814-63-9G6U377636CDTXSID7045023RefChem:1100323DTXCID5025023methyltributylammoniumN,N-Dibutyl-N-methyl-1-butanaminiumUNII-G6U377636C1-Butanaminium, N,N-dibutyl-N-methyl-SCHEMBL93610
Show more names
tributyl-methylazanium chlorideSCHEMBL4946657CHEMBL2074726HJHUXWBTVVFLQI-UHFFFAOYSA-HJHUXWBTVVFLQI-UHFFFAOYSA-NNS00009613Q27278855InChI=1/C13H30N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-13H2,1-4H3/q+1
Database identifiers
- CAS
29814-63-9- PubChem CID
- 36209
- DTXSID
DTXSID7045023- ChEMBL
CHEMBL2074726- UNII
- G6U377636C
- Nikkaji
- J231.887C
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 98.6
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Collision Cross Section154.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5044443]
Related reactions
9 records
Compound notes
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