dimethylaminophosphanium chloride

C2H9ClNP — CID 19362042

IUPACdimethylaminophosphanium chloride
SMILESCN(C)[PH3+].[Cl-]
InChIInChI=1S/C2H8NP.ClH/c1-3(2)4;/h4H2,1-2H3;1H
InChIKeyGYQSSCGWAJWHCK-UHFFFAOYSA-N
MW113.53 g/mol
LogP-2.93
Rot. Bonds

About dimethylaminophosphanium chloride

dimethylaminophosphanium chloride (PubChem CID 19362042) has the molecular formula C2H9ClNP and a molecular weight of 113.53 g/mol. Its IUPAC name is dimethylaminophosphanium chloride.

Molecular Properties

Compound Namedimethylaminophosphanium chloride
PubChem CID19362042
Molecular FormulaC2H9ClNP
Molecular Weight113.53 g/mol
Exact Mass113.02
IUPAC Namedimethylaminophosphanium chloride
SMILESCN(C)[PH3+].[Cl-]
InChIInChI=1S/C2H8NP.ClH/c1-3(2)4;/h4H2,1-2H3;1H
InChIKeyGYQSSCGWAJWHCK-UHFFFAOYSA-N
XLogP-2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.53
LogP ≤ 5-2.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylaminophosphanium chloride?
The IUPAC name of dimethylaminophosphanium chloride (CID 19362042) is dimethylaminophosphanium chloride.
What is the SMILES notation for dimethylaminophosphanium chloride?
The canonical SMILES for dimethylaminophosphanium chloride is CN(C)[PH3+].[Cl-].
What is the InChIKey of dimethylaminophosphanium chloride?
The InChIKey is GYQSSCGWAJWHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NP.ClH/c1-3(2)4;/h4H2,1-2H3;1H.
What are the key properties of dimethylaminophosphanium chloride?
dimethylaminophosphanium chloride has a molecular weight of 113.53 g/mol, XLogP of -2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminophosphanium chloride is sourced from PubChem (CID 19362042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).