2-amino-2-methyl-1-(pyrrolidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48843
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(N1CCCC1)C(N)(C)C.Cl
• Canonical SMILES: O=C(C(N)(C)C)N1CCCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-8(2,9)7(11)10-5-3-4-6-10;/h3-6,9H2,1-2H3;1H
• InChIKey: SROZEDZYTCNAFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methyl-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-2-methyl-1-(pyrrolidin-1-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-2-methyl-1-(1-pyrrolidinyl)-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD13562092
• PubChem SID: 162053606
• PubChem CID: 56831856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8802872
• LogD (pH = 7.4): -1.3528371
• Log P: -0.09973844
• Molar Refractivity: 44.3672 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false