Tetraheptylammonium

HCID 77072

Notes Reactions

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Basic information

CAS: 35414-25-6
Standard SMILES: CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
InChIKey: YFZDLRVCXDBOPH-UHFFFAOYSA-N
Molecular formula: C28H60N+
Average molar mass: 410.8 g/mol
Monoisotopic mass: 410.47257592

Names & identifiers

Preferred name: Tetraheptylammonium
IUPAC: tetraheptylazanium
English name: Tetraheptylammonium
Molecular weight: 0

Names & synonyms

Tetraheptylammoniumtetraheptylazanium bromiden,n,n-triheptylheptan-1-aminium35414-25-6TAA7SCHEMBL272990YFZDLRVCXDBOPH-UHFFFAOYSA-DTXSID00275751PD196734InChI=1/C28H60N/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-28H2,1-4H3/q+1Tetraheptylaminium

Database identifiers

CAS: 35414-25-6
PubChem CID: 77072
DTXSID: DTXSID00275751
Nikkaji: J91.258A

Properties

Computed structural properties

XLogP: 11.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 24
Heavy atoms: 29
Formal charge: 1
Complexity: 237

Experimental & physicochemical properties

Collision Cross Section · 2 items

236.4 Å² [M]+ [CCS Type: DT; Method: stepped-field]

233.9 Å² [M*]+

Related reactions

1 records

New reaction record

HRID 1147240As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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