(3R,5S,7s)-adamantan-1-amine hydrochloride

• ChemBase ID: 120937
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: [C@@]12(C[C@@H]3C[C@H](C1)C[C@H](C2)C3)N.Cl
• Canonical SMILES: N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3.Cl
• InChI: InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H/t7?,8?,9?,10-
• InChIKey: WOLHOYHSEKDWQH-APSBRFQUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,5S,7s)-adamantan-1-amine hydrochloride
• IUPAC Traditional name: amantidine hydrochloride
• Synonyms: 1-Adamantylamine hydrochloride; 1-Aminoadamantane hydrochloride; 1-Adamantanamine hydrochloride; Amantadine hydrochloride; (3s,5s,7s)-adamantan-1-amine hydrochloride; 1-氨基金刚烷 盐酸盐; 1-金刚烷胺 盐酸盐; 1-金刚烷胺 盐酸盐

Database IDs

• CAS Number: 665-66-7
• EC Number: 211-560-2
• MDL Number: MFCD00074723
• Beilstein Number: 4198854
• PubChem SID: 24845947; 24277882; 162215290
• PubChem CID: 64150

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5643042
• LogD (pH = 7.4): -1.3837394
• Log P: 1.4659475
• Molar Refractivity: 45.5356 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: ethanol: soluble; H2O: soluble50 mg/mL

Safety Information

• RTECS: AU4375000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (AT)
• Grade: purum
• Salt Data: HCl
• Ignition Residue: ≤0.05%
• Empirical Formula (Hill Notation): C10H17N · HCl

DETAILS

Sigma Aldrich - A1260

Biochem/physiol Actions
Dopamine releaser used to treat Parkinsonism and drug-induced extrapyramidal reactions.

Sigma Aldrich - 06651

Biochem/physiol Actions
Dopamine releaser used to treat Parkinsonism and drug-induced extrapyramidal reactions.