2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-aminium

Base Information

• Chemical Name: 2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-aminium
• CAS No.: 220497-88-1
• Molecular Formula: C6H13 N O3 . Cl H
• Molecular Weight: 183.63
• European Community (EC) Number: 695-481-2
• DSSTox Substance ID: DTXSID60944678
• Mol file: 220497-88-1.mol

Synonyms:220497-88-1;DTXSID60944678;2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-aminium

Chemical Property of 2,3-Dihydroxy-4-(hydroxymethyl)cyclopentan-1-aminium

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 125.4 °C
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 300.9°Cat760mmHg
• Flash Point: 135.8°C
• PSA: 86.71000
• Density: g/cm³
• LogP: -1.25200
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.09736831
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98% ^*data from raw suppliers

(1S,2R,3S,4S)-2,3-DIHYDROXY-4-(HYDROXYMETHYL)-1-AMINOCYCLOPENTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C1[NH3+])O)O)CO
• Isomeric SMILES: C1[C@H]([C@@H]([C@@H]([C@H]1[NH3+])O)O)CO