4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride

C10H15ClNOP — CID 66832472

IUPAC4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCl.O=P1(c2ccccc2)CCNCC1
InChIInChI=1S/C10H14NOP.ClH/c12-13(8-6-11-7-9-13)10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H
InChIKeyNEECTAREUIURIU-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.70
Rot. Bonds1

About 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride

4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride (PubChem CID 66832472) has the molecular formula C10H15ClNOP and a molecular weight of 231.66 g/mol. Its IUPAC name is 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride.

Molecular Properties

Compound Name4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
PubChem CID66832472
Molecular FormulaC10H15ClNOP
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCl.O=P1(c2ccccc2)CCNCC1
InChIInChI=1S/C10H14NOP.ClH/c12-13(8-6-11-7-9-13)10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H
InChIKeyNEECTAREUIURIU-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The IUPAC name of 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride (CID 66832472) is 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride.
What is the SMILES notation for 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The canonical SMILES for 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride is Cl.O=P1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The InChIKey is NEECTAREUIURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NOP.ClH/c12-13(8-6-11-7-9-13)10-4-2-1-3-5-10;/h1-5,11H,6-9H2;1H.
What are the key properties of 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride has a molecular weight of 231.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4λ5-azaphosphinane 4-oxide;hydrochloride is sourced from PubChem (CID 66832472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).