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85107-53-5

Basic Information
CAS No.: 85107-53-5
Name: 2-(N,N-DIMETHYLAMINOMETHYL)PHENYLBORONIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 85107-53-5 (2-(N,N-DIMETHYLAMINOMETHYL)PHENYLBORONIC ACID)
Formula: C9H14BNO2
Molecular Weight: 179.027
Synonyms: Boronicacid, [2-[(dimethylamino)methyl]phenyl]- (9CI);2-(N,N-Dimethylaminomethyl)benzeneboronic acid;[2-((Dimethylamino)methyl)phenyl]boronicacid;[2-(N,N-Dimethylaminomethyl)phenyl]boronic acid;
Density: 1.09 g/cm3
Boiling Point: 309.1 °C at 760 mmHg
Flash Point: 140.7 °C
Appearance: beige powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 43.70000
LogP: -0.57200
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    (2-((Dimethylamino)methyl)phenyl)boronicacid

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  • 2-(N,N-Dimethylaminomethyl)phenylboronic acid

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    85107-53-5

    2-(N,N-Dimethylaminomethyl)phenylboronic acid

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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  • 2-(N,N-Dimethylaminomethyl)phenyl-boronic acid

  • Casno:

    85107-53-5

    2-(N,N-Dimethylaminomethyl)phenyl-boronic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High quality Products with prompt delivery Package:based on customer requirement Application:organic intermediates Transportation:By are or by sea Port:any port of China

    Wuhan Chemwish Technology Co., Ltd is one of China's leading chemical corporations, which can offer customers for more than 50,000 pharmaceutical intermediates. We have a dedicated

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Specification

The IUPAC name of Boronicacid, B-[2-[(dimethylamino)methyl]phenyl]- is [2-(dimethylaminomethyl)phenyl]boronic acid. With the CAS registry number 85107-53-5, it is also named as 2-(N,N-Dimethylaminomethyl)phenylboronic acid. The product's categories are Amino; Aryl; Organoborons; Boronic Acids. Besides, it is beige powder, which shuold be stored at 0-6 °C. In addition, its molecular formula is C9H14BNO2 and its molecular weight is 179.02.

The other characteristics of Boronicacid, B-[2-[(dimethylamino)methyl]phenyl]- can be summarized as: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 7.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 51.05 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 20.23×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 140.7 °C; (20)Enthalpy of Vaporization: 58.05 kJ/mol; (21)Boiling Point: 309.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000282 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c1ccccc1CN(C)C
(2)InChI: InChI=1/C9H14BNO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6,12-13H,7H2,1-2H3
(3)InChIKey: VUDCTLOJEPCNRS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H14BNO2/c1-11(2)7-8-5-3-4-6-9(8)10(12)13/h3-6,12-13H,7H2,1-2H3
(5)Std. InChIKey: VUDCTLOJEPCNRS-UHFFFAOYSA-N