Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]- supplier

Name
4-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYLBORONIC ACID
EINECS
CAS No. 913835-84-4
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₀BNO₃
Boiling Point 476.1 °C at 760 mmHg
Molecular Weight 261.1245
Flash Point 241.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronic acid, [4-[(cyclohexylmethylamino)carbonyl]phenyl]-(9CI);
PSA 60.77000
LogP 0.77110

Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]- Specification

The Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-, with CAS registry number 913835-84-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of [4-[cyclohexyl(methyl)carbamoyl]phenyl]boronic acid. And the chemical formula of this chemical is C₁₄H₂₀BNO₃.

Physical properties of Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.76; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 60.77 Å²; (9)Index of Refraction: 1.56; (10)Molar Refractivity: 72.26 cm³; (11)Molar Volume: 223.2 cm³; (12)Polarizability: 28.64×10^-24cm³; (13)Surface Tension: 48.8 dyne/cm; (14)Density: 1.16 g/cm³; (15)Flash Point: 241.8 °C; (16)Enthalpy of Vaporization: 77.93 kJ/mol; (17)Boiling Point: 476.1 °C at 760 mmHg; (18)Vapour Pressure: 7.14E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)N(C)C2CCCCC2)(O)O
(2)InChI: InChI=1/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3
(3)InChIKey: HJTPGROLNSBJDQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H20BNO3/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(10-8-11)15(18)19/h7-10,13,18-19H,2-6H2,1H3
(5)Std. InChIKey: HJTPGROLNSBJDQ-UHFFFAOYSA-N

Product Name

4-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYLBORONIC ACID

Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]- Specification

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