(1R,2R,3R,4S)-bicyclo[2.2.1]heptane-2,3-diamine

• ChemBase ID: 282810
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: [C@@H]1([C@@H]([C@H]2C[C@@H]1CC2)N)N
• Canonical SMILES: N[C@@H]1[C@@H]2CC[C@H]([C@H]1N)C2
• InChI: InChI=1S/C7H14N2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3,8-9H2/t4-,5+,6-,7-/m1/s1
• InChIKey: ZPKDUFWKBQYUAT-XZBKPIIZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,3R,4S)-bicyclo[2.2.1]heptane-2,3-diamine
• IUPAC Traditional name: (1R,2R,3R,4S)-bicyclo[2.2.1]heptane-2,3-diamine
• Synonyms: (1R,2R,3R,4S)-bicyclo[2.2.1]heptane-2,3-diamine

Database IDs

• MDL Number: MFCD18826836
• PubChem SID: 180668341
• PubChem CID: 11356087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.0899158
• LogD (pH = 7.4): -2.9753253
• Log P: -0.18632266
• Molar Refractivity: 36.492 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.345

Product Information

• Purity: 95%