(3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic Acid

Base Information

• Chemical Name: (3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic Acid
• CAS No.: 261896-40-6
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.24
• DSSTox Substance ID: DTXSID50463287
• Nikkaji Number: J1.546.947A
• Wikidata: Q72485102
• Mol file: 261896-40-6.mol

Synonyms:261896-40-6;(3S,4S)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID;(3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic Acid;rac-(3r,4r)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid;3-Pyrrolidinecarboxylic acid, 4-(2-methylpropyl)-, (3S,4S)-;SCHEMBL6674927;DTXSID50463287;AKOS006323465;A5198;EN300-2591887

Chemical Property of (3S,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic Acid

Chemical Property:

• Vapor Pressure: 0.000657mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 286.9 °C at 760 mmHg
• Flash Point: 127.3 °C
• PSA: 49.33000
• Density: 1.019 g/cm³
• LogP: 1.28150
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1CNCC1C(=O)O
• Isomeric SMILES: CC(C)C[C@@H]1CNC[C@H]1C(=O)O