Benzotriazol-1-yl-oxytripyrrolidinophosphonium

HCID 2724700

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Basic information

Standard SMILES: c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIKey: WGNZRLMOMHJUSP-UHFFFAOYSA-N
Molecular formula: C18H28N6OP+
Average molar mass: 375.4 g/mol

Names & identifiers

Preferred name: Benzotriazol-1-yl-oxytripyrrolidinophosphonium
IUPAC: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium

Names & synonyms

SCHEMBL132515SCHEMBL28536673SCHEMBL29360593WGNZRLMOMHJUSP-UHFFFAOYSA-Nbenzotriazol-1-yl-oxytripyrrolidinophosphoniumbenzotriazol-1-yl-oxy-tripyrrolidinophosphonium(benzotriazol-1-yloxy)tripyrrolidino-phosphoniumbenzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphonium

Database identifiers

PubChem CID: 2724700
Nikkaji: J582.849J

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 1
Complexity: 438

Related reactions

320 records

New reaction record

HRID 87346As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87826As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 87828As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 88118As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 90855As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96704As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98656As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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