2(s)-Amino-6-boronohexanoic acid

Base Information

• Chemical Name: 2(s)-Amino-6-boronohexanoic acid
• CAS No.: 222638-65-5
• Molecular Formula: C6H14BNO4
• Molecular Weight: 174.99
• UNII: 4X6P7ZQE7D
• DSSTox Substance ID: DTXSID20430749
• Nikkaji Number: J1.179.038K
• Wikidata: Q27071909
• Pharos Ligand ID: QYF21TH6F48P
• ChEMBL ID: CHEMBL1812661
• Mol file: 222638-65-5.mol

Synonyms:222638-65-5;2(s)-amino-6-boronohexanoic acid;L-Norleucine, 6-borono-;(2S)-2-amino-6-boronohexanoic acid;6-borono-L-norleucine;(S)-2-amino-6-boronohexanoic acid;4X6P7ZQE7D;ABH;6-(dihydroxyboryl)-L-norleucine;CHEBI:40520;(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid;CHEMBL1812661;(S)-ABH;(R)-2-Amino-6-boronohexanoic acid;D08PUJ;UNII-4X6P7ZQE7D;SCHEMBL215523;GTPL5107;DTXSID20430749;(S)-2-amino-6-boronohexanoicacid;BDBM130378;MFCD08056094;AKOS006284705;2(S)-amino-6-boronohexanoic acid (ABH);PD020048;(2S)-2-amino-6-(dihydroxyboryl)hexanoic acid;Q27071909

Chemical Property of 2(s)-Amino-6-boronohexanoic acid

Chemical Property:

• Boiling Point: 404.377 °C at 760 mmHg
• Flash Point: 198.36 °C
• PSA: 103.78000
• Density: 1.222 g/cm³
• LogP: -0.25830
• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 175.1015881
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

ABH ≥90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(CCCCC(C(=O)O)N)(O)O
• Isomeric SMILES: B(CCCC[C@@H](C(=O)O)N)(O)O
• Recent ClinicalTrials: Randomized Trial of the Effectiveness of Topical 'ABH Gel' vs. Placebo in Cancer Patients With Nausea