(1R,3r,5S,7s)-tricyclo[3.3.1.03,7]nonan-3-amine hydrochloride

• ChemBase ID: 158750
• Molecular Formular: C9H16ClN
• Molecular Mass: 173.68304
• Monoisotopic Mass: 173.0971272
• SMILES: C1[C@@H]2C[C@@H]3C[C@H]1C[C@@]3(C2)N.Cl
• Canonical SMILES: N[C@]12C[C@H]3C[C@@H]2C[C@@H](C1)C3.Cl
• InChI: InChI=1S/C9H15N.ClH/c10-9-4-6-1-7(5-9)3-8(9)2-6;/h6-8H,1-5,10H2;1H/t6-,7+,8-,9-
• InChIKey: YPEGOYFGBDTDJK-OAGGSKBVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,3r,5S,7s)-tricyclo[3.3.1.0^3,^7]nonan-3-amine hydrochloride
• IUPAC Traditional name: (1R,3r,5S,7s)-tricyclo[3.3.1.0^3,^7]nonan-3-amine hydrochloride
• Synonyms: 3-Aminonoradamantane hydrochloride; 3-Noradamantanamine hydrochloride

Database IDs

• CAS Number: 86128-83-8
• MDL Number: MFCD00213499
• PubChem SID: 24857545; 162252886
• PubChem CID: 55252532

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.7687196
• Log P: 1.0993326
• Molar Refractivity: 40.8576 cm^3
• Polarizability: 16.65893 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9312627

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H15N · HCl

DETAILS

Sigma Aldrich - 291870

Application
Building block for "Anti-Bredt"strained molecules.1
Packaging
1 g in glass bottle
250 mg in glass bottle