2-aminoethyl dibutylborinate

• ChemBase ID: 138117
• Molecular Formular: C10H24BNO
• Molecular Mass: 185.11466
• Monoisotopic Mass: 185.19509479
• SMILES: B(CCCC)(CCCC)OCCN
• Canonical SMILES: CCCCB(OCCN)CCCC
• InChI: InChI=1S/C10H24BNO/c1-3-5-7-11(8-6-4-2)13-10-9-12/h3-10,12H2,1-2H3
• InChIKey: RVHUYZSUNYLBCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethyl dibutylborinate
• IUPAC Traditional name: 2-aminoethyl dibutylborinate
• Synonyms: 2-Aminoethyl dibutylborinate; Dibutylborinic acid, ethanolamine ester; 2-氨乙基二丁基硼酸; 二丁基硼酸，乙醇胺酯

Database IDs

• CAS Number: 19324-14-2
• MDL Number: MFCD00239403
• PubChem SID: 24868274; 162232375
• PubChem CID: 4068534

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.25123593
• LogD (pH = 7.4): 1.0043113
• Log P: 3.0869
• Molar Refractivity: 53.9405 cm^3
• Polarizability: 23.39001 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: [CH3(CH2)3]2BOCH2CH2NH2