(2R)-2-(chloromethyl)pyrrolidine

• ChemBase ID: 799237
• Molecular Formular: C5H10ClN
• Molecular Mass: 119.5926
• Monoisotopic Mass: 119.05017701
• SMILES: N1[C@H](CCC1)CCl
• Canonical SMILES: ClC[C@H]1CCCN1
• InChI: InChI=1S/C5H10ClN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2/t5-/m1/s1
• InChIKey: KFINMADAIKCLDI-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(chloromethyl)pyrrolidine
• IUPAC Traditional name: (2R)-2-(chloromethyl)pyrrolidine
• Synonyms: (R)-2-(chloromethyl)pyrrolidine

Database IDs

• CAS Number: 1260981-34-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2878163
• LogD (pH = 7.4): -1.6846228
• Log P: 0.9371759
• Molar Refractivity: 31.2479 cm^3
• Polarizability: 12.559666 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%