[3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride

• ChemBase ID: 234585
• Molecular Formular: C12H21ClN2OS
• Molecular Mass: 276.82594
• Monoisotopic Mass: 276.10631198
• SMILES: s1c(ccc1)CNCCCN1CCOCC1.Cl
• Canonical SMILES: C(NCc1cccs1)CCN1CCOCC1.Cl
• InChI: InChI=1S/C12H20N2OS.ClH/c1-3-12(16-10-1)11-13-4-2-5-14-6-8-15-9-7-14;/h1,3,10,13H,2,4-9,11H2;1H
• InChIKey: OQLHPPLMRJZEQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine hydrochloride
• Synonyms: N-(3-morpholin-4-ylpropyl)-N-(thien-2-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD08236879
• PubChem SID: 164290495
• PubChem CID: 9551938

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5141828
• LogD (pH = 7.4): -0.72704476
• Log P: 1.3045799
• Molar Refractivity: 68.1549 cm^3
• Polarizability: 26.72394 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): 1.741

Product Information

• Purity: 95%
• Salt Data: HCl