5-chloro-2-(morpholin-4-yl)aniline hydrochloride

• ChemBase ID: 231451
• Molecular Formular: C10H14Cl2N2O
• Molecular Mass: 249.13696
• Monoisotopic Mass: 248.04831844
• SMILES: c1(N2CCOCC2)c(cc(cc1)Cl)N.Cl
• Canonical SMILES: Clc1ccc(c(c1)N)N1CCOCC1.Cl
• InChI: InChI=1S/C10H13ClN2O.ClH/c11-8-1-2-10(9(12)7-8)13-3-5-14-6-4-13;/h1-2,7H,3-6,12H2;1H
• InChIKey: HIRKUZJAWAZJOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(morpholin-4-yl)aniline hydrochloride
• IUPAC Traditional name: 5-chloro-2-(morpholin-4-yl)aniline hydrochloride
• Synonyms: 5-chloro-2-morpholin-4-ylaniline hydrochloride

Database IDs

• CAS Number: 90875-44-8
• MDL Number: MFCD03195719
• PubChem SID: 164287361
• PubChem CID: 43810387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6360779
• LogD (pH = 7.4): 1.6378849
• Log P: 1.637908
• Molar Refractivity: 59.0663 cm^3
• Polarizability: 21.807104 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 1.779

Product Information

• Purity: 95%
• Salt Data: HCl