Chemical Properties of Pyrrocaine (CAS 2210-77-7)

InChI

InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)

InChI Key

OYCGKECKIVYHTN-UHFFFAOYSA-N

Formula

C14H20N2O

SMILES

Cc1cccc(C)c1NC(=O)CN1CCCC1

Molecular Weight¹

232.32

CAS

2210-77-7

Other Names

• 1-Pyrrolidineacetamide, N-(2,6-dimethylphenyl)-
• 1-Pyrrolidineaceto-2',6'-xylidide
• 1-Pyrrolidinoaceto-2',6'-xylidide
• Dynacaine
• EN-1010
• Endocaine
• NSC-52644

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-1.47		Relay (1.0) Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	195.030	ml/mol	McGowan Calculated Property
Inp	[1968.00; 1968.00]
Inp	1968.00		NIST
Inp	1968.00		NIST
Tfus	392.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Pyrrocaine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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