3-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol

Base Information

• Chemical Name: 3-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol
• CAS No.: 156205-82-2
• Molecular Formula: C13H26 N2 O3
• Molecular Weight: 258.36
• DSSTox Substance ID: DTXSID00700917
• Mol file: 156205-82-2.mol

Synonyms:156205-82-2;DTXSID00700917;JWQAHJZHEXWYME-UHFFFAOYSA-N;3-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol;1H-Pyrrolizine-1,2,7-triol, hexahydro-3-[[(1-methylbutyl)amino]methyl]-

Chemical Property of 3-{[(Pentan-2-yl)amino]methyl}hexahydro-1H-pyrrolizine-1,2,7-triol

Chemical Property:

• PSA: 75.96000
• LogP: -0.36740
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 258.19434270
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)NCC1C(C(C2N1CCC2O)O)O