chloro-tris(dimethylamino)phosphanium chloride

C6H18Cl2N3P — CID 10889830

IUPACchloro-tris(dimethylamino)phosphanium chloride
SMILESCN(C)[P+](Cl)(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C6H18ClN3P.ClH/c1-8(2)11(7,9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyLAAFHEZVGNHGCM-UHFFFAOYSA-M
MW234.11 g/mol
LogP-1.41
Rot. Bonds3

About chloro-tris(dimethylamino)phosphanium chloride

chloro-tris(dimethylamino)phosphanium chloride (PubChem CID 10889830) has the molecular formula C6H18Cl2N3P and a molecular weight of 234.11 g/mol. Its IUPAC name is chloro-tris(dimethylamino)phosphanium chloride.

Molecular Properties

Compound Namechloro-tris(dimethylamino)phosphanium chloride
PubChem CID10889830
Molecular FormulaC6H18Cl2N3P
Molecular Weight234.11 g/mol
Exact Mass233.06
IUPAC Namechloro-tris(dimethylamino)phosphanium chloride
SMILESCN(C)[P+](Cl)(N(C)C)N(C)C.[Cl-]
InChIInChI=1S/C6H18ClN3P.ClH/c1-8(2)11(7,9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1
InChIKeyLAAFHEZVGNHGCM-UHFFFAOYSA-M
XLogP-1.41
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-tris(dimethylamino)phosphanium chloride?
The IUPAC name of chloro-tris(dimethylamino)phosphanium chloride (CID 10889830) is chloro-tris(dimethylamino)phosphanium chloride.
What is the SMILES notation for chloro-tris(dimethylamino)phosphanium chloride?
The canonical SMILES for chloro-tris(dimethylamino)phosphanium chloride is CN(C)[P+](Cl)(N(C)C)N(C)C.[Cl-].
What is the InChIKey of chloro-tris(dimethylamino)phosphanium chloride?
The InChIKey is LAAFHEZVGNHGCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H18ClN3P.ClH/c1-8(2)11(7,9(3)4)10(5)6;/h1-6H3;1H/q+1;/p-1.
What are the key properties of chloro-tris(dimethylamino)phosphanium chloride?
chloro-tris(dimethylamino)phosphanium chloride has a molecular weight of 234.11 g/mol, XLogP of -1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(dimethylamino)phosphanium chloride is sourced from PubChem (CID 10889830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).