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

• ChemBase ID: 24147
• Molecular Formular: C12H22Cl2N2OS
• Molecular Mass: 313.28688
• Monoisotopic Mass: 312.08298969
• SMILES: N1(CCCNCc2cccs2)CCOCC1.Cl.Cl
• Canonical SMILES: C(NCc1cccs1)CCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C12H20N2OS.2ClH/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;2*1H
• InChIKey: LBACWIJUSDJRGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [3-(morpholin-4-yl)propyl](thiophen-2-ylmethyl)amine dihydrochloride
• Synonyms: (3-Morpholin-4-yl-propyl)-thiophen-2-ylmethyl-amine dihydrochloride

Database IDs

• MDL Number: MFCD07105389
• PubChem SID: 160987454
• PubChem CID: 6456937

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false