(3S)-1-methylpyrrolidin-3-amine hydrochloride

• ChemBase ID: 815579
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: Cl.N1(C[C@H](CC1)N)C
• Canonical SMILES: CN1CC[C@@H](C1)N.Cl
• InChI: InChI=1S/C5H12N2.ClH/c1-7-3-2-5(6)4-7;/h5H,2-4,6H2,1H3;1H/t5-;/m0./s1
• InChIKey: MXSDGEUYISCEJN-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1-methylpyrrolidin-3-amine hydrochloride
• IUPAC Traditional name: (3S)-1-methylpyrrolidin-3-amine hydrochloride
• Synonyms: (S)-1-methylpyrrolidin-3-amine hydrochloride

Database IDs

• CAS Number: 852874-61-4

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.2058868
• Log P: -0.6586125
• Molar Refractivity: 30.5045 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3821025

PROPERTIES

Product Information

• Purity: 98%