Basic information
- CAS
4436-89-9- Standard SMILES
CNC(C)CCCC(C)(C)O- InChIKey
RKJHVHVICYLTJF-UHFFFAOYSA-N- Molecular formula
- C9H21NO
- Average molar mass
- 159.27 g/mol
- Monoisotopic mass
- 159.16231429
Names & identifiers
- Preferred name
- Aranthol
- IUPAC
- 2-methyl-6-(methylamino)heptan-2-ol
- English name
- 2-Heptanol, 2-methyl-6-(methylamino)-
- Molecular formula
- C9H21NO
- Molecular weight
- 159.27
Names & synonyms
Aranthol2-methyl-6-(methylamino)heptan-2-olMETHAMOCTOL4436-89-9UNII-ET3N36C4L7ET3N36C4L72-Heptanol, 2-methyl-6-(methylamino)-DTXSID001017028RefChem:113710DTXCID401449051N-Methylheptaminol2-Methyl-6-methylaminoheptan-2-ol
Show more names
Isometheptene Impurity 3
Isometheptene Impurity ECHEMBL2104701SCHEMBL13003427Q27277350
Database identifiers
- CAS
4436-89-9- PubChem CID
- 28255
- DTXSID
DTXSID001017028- ChEMBL
CHEMBL2104701- UNII
- ET3N36C4L7
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- FDA UNII
- 3 N36C4L7 · ET3N36C4L7
Chemistry & industry
Applications
UsesAranthol Maleate is an intermediate in the synthesis of Isometheptene (I821325), a sympathomimetic amine that shows some antihypertensive activity.
Suppliers2 total
河南誉康卓宁进出口有限公司13393721940 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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