2-(4-Aminobenzyl)-1,3,2-dioxaphosphorinane-2-oxide

HCID 11299113

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(CP2(=O)OCCCO2)cc1
InChIKey: CIGFPPDZJWFKKC-UHFFFAOYSA-N
Molecular formula: C10H14NO3P
Average molar mass: 227.2 g/mol

Names & identifiers

Preferred name: 2-(4-Aminobenzyl)-1,3,2-dioxaphosphorinane-2-oxide
IUPAC: 4-[(2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]aniline

Names & synonyms

SCHEMBL2029431CIGFPPDZJWFKKC-UHFFFAOYSA-N2-(4-aminobenzyl)-1,3,2-dioxaphosphorinane-2-oxide4-[(2-oxido-1,3,2-dioxaphosphinan-2-yl)methyl]aniline

Database identifiers

PubChem CID: 11299113

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Related reactions

7 records

New reaction record

HRID 100576As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 172682As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 511469As reactantuspto-grants-2015_08

HRID 511470As productuspto-grants-2015_08

HRID 1948037As reactantuspto-grants-2013_03

HRID 1948038As productuspto-grants-2013_03

HRID 1978795As reactantuspto-grants-2001_05

Compound notes

Loading…