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

• ChemBase ID: 151742
• Molecular Formular: C10H17N
• Molecular Mass: 151.24868
• Monoisotopic Mass: 151.13609955
• SMILES: C1[C@@H]2C[C@]3(C[C@@H](C2)C[C@@H]1C3)N
• Canonical SMILES: N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3
• InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10-
• InChIKey: DKNWSYNQZKUICI-CHIWXEEVSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 768-94-5
• EC Number: 212-201-2
• MDL Number: MFCD00074732
• Beilstein Number: 2204333
• PubChem SID: 24845945; 24848359; 162245892
• PubChem CID: 2130

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

• Melting Point: 206-208 °C(lit.); 208-210 °C

Safety Information

• RTECS: YD1925000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... GRIN2A(2903)

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: technical
• Empirical Formula (Hill Notation): C10H17N

DETAILS

Sigma Aldrich - 138576

Application
Building block for an L-piperidinamide catalyst used in an enantioselective Strecker reaction of phosphinoyl imines.1
Packaging
25, 100 g in poly bottle
5 g in glass bottle