N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

• ChemBase ID: 29851
• Molecular Formular: C14H23BClNO2
• Molecular Mass: 283.60192
• Monoisotopic Mass: 283.15103706
• SMILES: c1(cccc(c1)B1OC(C(O1)(C)C)(C)C)N(C)C.Cl
• Canonical SMILES: CN(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C.Cl
• InChI: InChI=1S/C14H22BNO2.ClH/c1-13(2)14(3,4)18-15(17-13)11-8-7-9-12(10-11)16(5)6;/h7-10H,1-6H3;1H
• InChIKey: RFCHVVUPNCFWCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride
• Synonyms: N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

Database IDs

• MDL Number: MFCD11052310
• PubChem SID: 160993158
• PubChem CID: 43819152

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1584363
• LogD (pH = 7.4): 4.164719
• Log P: 4.1648
• Molar Refractivity: 70.1417 cm^3
• Polarizability: 28.8313 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT-HARMFUL
• TSCA Listed: false

Product Information

• Purity: 97%