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| Synonyms | 6452-57-9 | 3-isopropylamino-1,2-propanediol | 3-(Isopropylamino)-1,2-propanediol | 3-(Isopropylamino)propane-1,2-diol | 3-(propan-2-ylamino)propane-1,2-diol | 1,2-dihydroxy-3-isopropylaminopropane | 3-[(propan-2-yl)amino]propane-1,2-diol | 1,2-Propanediol, 3-[(1-methy |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Alkanolamines |
| Direct Parent | 1,3-aminoalcohols |
| Alternative Parents | Secondary alcohols 1,2-diols 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-aminoalcohol - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom. |
| External Descriptors | Not available |
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| Pubchem Sid | 504756675 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756675 |
| IUPAC Name | 3-(propan-2-ylamino)propane-1,2-diol |
| INCHI | InChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3 |
| InChIKey | YKBZGEJJKPNRSI-UHFFFAOYSA-N |
| Smiles | CC(C)NCC(CO)O |
| Isomeric SMILES | CC(C)NCC(CO)O |
| Molecular Weight | 133.19 |
| Reaxy-Rn | 1919362 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1919362&ln= |
| Solubility | Chloroform, DMSO, Methanol |
|---|---|
| Molecular Weight | 133.190 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 133.11 Da |
| Monoisotopic Mass | 133.11 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 66.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |