2-amino-N-(3-ethoxypropyl)propanamide hydrochloride

• ChemBase ID: 49801
• Molecular Formular: C8H19ClN2O2
• Molecular Mass: 210.70166
• Monoisotopic Mass: 210.11350554
• SMILES: C(=O)(NCCCOCC)C(N)C.Cl
• Canonical SMILES: CCOCCCNC(=O)C(N)C.Cl
• InChI: InChI=1S/C8H18N2O2.ClH/c1-3-12-6-4-5-10-8(11)7(2)9;/h7H,3-6,9H2,1-2H3,(H,10,11);1H
• InChIKey: CSTPJKHDZUAMHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-ethoxypropyl)propanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(3-ethoxypropyl)propanamide hydrochloride
• Synonyms: 2-Amino-N-(3-ethoxypropyl)propanamide hydrochloride

Database IDs

• MDL Number: MFCD13562690
• PubChem SID: 162054564
• PubChem CID: 56832174

CALCULATED PROPERTIES

• Acid pKa: 15.908783
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.4465148
• LogD (pH = 7.4): -1.8192065
• Log P: -0.79218566
• Molar Refractivity: 47.8737 cm^3
• Polarizability: 18.901976 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false