Basic information
- CAS
17086-16-7- Standard SMILES
CNC(C)CCCC(C)(C)O.Cl- InChIKey
YALASGGBZLRLQA-UHFFFAOYSA-N- Molecular formula
- C9H22ClNO
- Average molar mass
- 195.73 g/mol
- Monoisotopic mass
- 195.138992
Names & identifiers
- Preferred name
- Aranthol hydrochloride
- IUPAC
- 2-methyl-6-(methylamino)heptan-2-ol;hydrochloride
Names & synonyms
Aranthol hydrochloride17086-16-780A48Q9092RefChem:1077168EA-833738 RPUNII-80A48Q90926-Hydroxy-6-methyl-2-heptyl methylamine hydrochlorideMethylamine, 2-heptyl-6-hydroxy-6-methyl-, hydrochloride2-HEPTANOL, 2-METHYL-6-METHYLAMINO-, HYDROCHLORIDEMETHAMOCTOL HYDROCHLORIDEDTXSID00937842
Show more names
Isometheptene BP Impurity E (HCl)N-METHYLHEPTAMINOL HYDROCHLORIDEQ272691362-Methyl-6-(methylamino)heptan-2-ol--hydrogen chloride (1/1)2-HEPTANOL, 2-METHYL-6-(METHYLAMINO)-, HYDROCHLORIDE (1:1)
Database identifiers
- CAS
17086-16-7- PubChem CID
- 28254
- DTXSID
DTXSID00937842- UNII
- 80A48Q9092
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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