N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine

• Catalog Number: ACM82372358-1
• Product Name: N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine
• CAS: 82372-35-8
• Category: Heterocyclic Organic Compound
• Synonyms: o-Xylylene N,N-diethylphosphoramidite; 3-(Diethylamino)-1,5-dihydro-2,4,3-benzodioxaphosphepine
• IUPAC Name: N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine
• Molecular Weight: 239.25
• Molecular Formula: C12H18NO2P
• InChI: JDAKPBBWYIWXJF-UHFFFAOYSA-N
• InChI Key: InChI=1S/C12H18NO2P/c1-3-13(4-2)16-14-9-11-7-5-6-8-12(11)10-15-16/h5-8H,3-4,9-10H2,1-2H3
• Boiling Point: 95-96 °C at 0.1 mmHg(lit.)
• Flash Point: 190 °F
• Density: 1.109 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Isomeric SMILES: CCN(CC)P1OCC2=CC=CC=C2CO1
• pKa: 4.01±0.20(Predicted)

Custom Q&A

What is the molecular formula of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The molecular formula is C12H18NO2P.

What is the IUPAC name of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The IUPAC name is N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine.

What is the molecular weight of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The molecular weight is 239.25 g/mol.

What is the Canonical SMILES representation of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The Canonical SMILES is CCN(CC)P1OCC2=CC=CC=C2CO1.

What is the InChIKey of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The InChIKey is JDAKPBBWYIWXJF-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine have?

It has 3 hydrogen bond acceptors.

What is the topological polar surface area of N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine?

The topological polar surface area is 21.7 Ų.

How many rotatable bond count does N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine have?

It has 3 rotatable bonds.

Is N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine a canonicalized compound?

Yes, it is a canonicalized compound.

When was N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine created and last modified in PubChem?

It was created on 2005-09-13 and last modified on 2023-12-30.