(1r,3R,5S,7r)-N,3,5-trimethyladamantan-1-amine hydrochloride

• ChemBase ID: 155780
• Molecular Formular: C13H24ClN
• Molecular Mass: 229.78936
• Monoisotopic Mass: 229.15972745
• SMILES: C[C@@]12C[C@@H]3C[C@@](C1)(C[C@](C3)(C2)NC)C.Cl
• Canonical SMILES: CN[C@]12C[C@@H]3C[C@@](C2)(C[C@@](C1)(C3)C)C.Cl
• InChI: InChI=1S/C13H23N.ClH/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3;/h10,14H,4-9H2,1-3H3;1H/t10-,11+,12-,13-
• InChIKey: MZAJFEVHLOKXJM-CXAAXDCWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,3R,5S,7r)-N,3,5-trimethyladamantan-1-amine hydrochloride
• IUPAC Traditional name: (1r,3R,5S,7r)-N,3,5-trimethyladamantan-1-amine hydrochloride
• Synonyms: MD-Ada hydrochloride; 1-N-Methylamino-3,5-dimethyladamantane hydrochloride

Database IDs

• MDL Number: MFCD03452977
• PubChem SID: 162249918
• PubChem CID: 71312222

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.74041057
• LogD (pH = 7.4): -0.553527
• Log P: 2.4986222
• Molar Refractivity: 59.2604 cm^3
• Polarizability: 24.043682 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble16 mg/mL
• Apperance: white solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: >98% (HPLC)
• Empirical Formula (Hill Notation): C13H23N · HCl

DETAILS

Sigma Aldrich - M9189

Biochem/physiol Actions
Antagonist of the NMDA receptor-channel complex. Abolishes the PrionSc-induced neuronal injury in vitro, and displays no influence on the synthesis and/or the processing of PrionSc