1-N,1-N-diethylbenzene-1,4-diamine hydrochloride

• ChemBase ID: 110540
• Molecular Formular: C10H17ClN2
• Molecular Mass: 200.70838
• Monoisotopic Mass: 200.10802623
• SMILES: Cl.CCN(CC)c1ccc(N)cc1
• Canonical SMILES: CCN(c1ccc(cc1)N)CC.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-3-12(4-2)10-7-5-9(11)6-8-10;/h5-8H,3-4,11H2,1-2H3;1H
• InChIKey: XTBFKMDOQMQYPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-diethylbenzene-1,4-diamine hydrochloride
• IUPAC Traditional name: N,N-diethyl-1,4-benzenediamine hydrochloride
• Synonyms: p-AMINODIETHYLANILINE HYDROCHLORIDE PRACTICAL GRADE; N1,N1-Diethylbenzene-1,4-diamine hydrochloride

Database IDs

• CAS Number: 2198-58-5
• MDL Number: MFCD00035501
• PubChem SID: 162096450
• PubChem CID: 75145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.043112513
• LogD (pH = 7.4): 1.5841289
• Log P: 1.9659796
• Molar Refractivity: 54.6842 cm^3
• Polarizability: 19.996101 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%
• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05215477

MP Biomedicals Rare Chemical collection