Ritalinic acid

• Catalog Number: ACM19395416
• Product Name: Ritalinic acid
• CAS: 19395-41-6
• Category: Heterocyclic Organic Compound
• Synonyms: α-Phenyl-2-piperidineacetic acid
• IUPAC Name: 2-Phenyl-2-piperidin-2-ylacetic acid
• Molecular Weight: 219.28
• Molecular Formula: C13H17NO2
• Canonical SMILES: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
• InChI: InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
• InChI Key: INGSNVSERUZOAK-UHFFFAOYSA-N
• Boiling Point: 367.7±17.0 °C
• Melting Point: 236-238 °C
• Flash Point: 176.2 °C
• Density: 1.138±0.06 g/cm³
• Appearance: Off-white solid
• Storage: 2-8 °C
• Complexity: 236
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 243-020-7
• Exact Mass: 219.125928785
• Hazard Codes: Xi
• Hazard Statements: Xi
• Heavy Atom Count: 16
• HS Code: 2933399090
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• LogP: 2.32570
• Monoisotopic Mass: 219.125928785
• Physical State: Solid
• pKa: 3.50±0.10(Predicted)
• PSA: 49.33
• Refractive Index: 1.499
• Rotatable Bond Count: 3
• Safety Description: 26
• Supplemental Hazard Statements: H319
• Symbol: GHS07
• Topological Polar Surface Area: 49.3 Ų
• Vapor Pressure: 0.000204mmHg at 25°C
• WGK Germany: 3

Custom Q&A

What is the molecular formula of Ritalinic acid?

The molecular formula of Ritalinic acid is C13H17NO2.

What is the molecular weight of Ritalinic acid?

The molecular weight of Ritalinic acid is 219.28 g/mol.

What are the synonyms of Ritalinic acid?

The synonyms of Ritalinic acid are 2-Phenyl-2-(piperidin-2-yl)acetic acid, Phenyl(2-piperidinyl)acetic acid, phenyl(piperidin-2-yl)acetic acid, and more.

What is the IUPAC name of Ritalinic acid?

The IUPAC name of Ritalinic acid is 2-phenyl-2-piperidin-2-ylacetic acid.

What is the InChIKey of Ritalinic acid?

The InChIKey of Ritalinic acid is INGSNVSERUZOAK-UHFFFAOYSA-N.

What is the canonical SMILES representation of Ritalinic acid?

The canonical SMILES representation of Ritalinic acid is C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O.

What is the CAS number of Ritalinic acid?

The CAS number of Ritalinic acid is 19395-41-6.

What is the European Community (EC) number of Ritalinic acid?

The European Community (EC) number of Ritalinic acid is 243-020-7.

What is the XLogP3 value of Ritalinic acid?

The XLogP3 value of Ritalinic acid is -2.4.

How many hydrogen bond acceptor counts does Ritalinic acid have?

Ritalinic acid has 3 hydrogen bond acceptor counts.