2-[(2R)-1-methylpyrrolidin-2-yl]ethan-1-amine

• ChemBase ID: 796590
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: C(C[C@@H]1N(CCC1)C)N
• Canonical SMILES: NCC[C@H]1CCCN1C
• InChI: InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3/t7-/m1/s1
• InChIKey: PNHGJPJOMCXSKN-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2R)-1-methylpyrrolidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[(2R)-1-methylpyrrolidin-2-yl]ethanamine
• Synonyms: (R)-2-(1-Methylpyrrolidin-2-yl)ethanaMine

Database IDs

• CAS Number: 422545-96-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.3285217
• LogD (pH = 7.4): -4.422609
• Log P: -0.081290066
• Molar Refractivity: 40.0145 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%