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CAS No.: | 397843-70-8 |
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Name: | 3-(BUTYLAMINOCARBONYL)PHENYLBORONIC ACID |
Molecular Structure: | |
Formula: | C11H16BNO3 |
Molecular Weight: | 221.06 |
Synonyms: | Boronicacid, [3-[(butylamino)carbonyl]phenyl]- (9CI);3-(Butylaminocarbonyl)benzeneboronic acid; |
Density: | 1.14 g/cm3 |
Melting Point: | 216-224 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 69.56000 |
LogP: | 0.28720 |
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The Boronic acid,B-[3-[(butylamino)carbonyl]phenyl]- is an organic compound with the formula C11H16BNO3. The systematic name of this chemical is [3-(butylcarbamoyl)phenyl]boronic acid. With the CAS registry number 397843-70-8, the product's categories are Boronicacid; Blocks; BoronicAcids.
Physical properties about Boronic acid,B-[3-[(butylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.83; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 38.77 Å2; (6)Index of Refraction: 1.533; (7)Molar Refractivity: 60.2 cm3; (8)Molar Volume: 193.7 cm3; (9)Polarizability: 23.86×10-24cm3; (10)Surface Tension: 45.6 dyne/cm; (11)Density: 1.14 g/cm3.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(B(O)O)ccc1)NCCCC
(2)InChI: InChI=1/C11H16BNO3/c1-2-3-7-13-11(14)9-5-4-6-10(8-9)12(15)16/h4-6,8,15-16H,2-3,7H2,1H3,(H,13,14)
(3)InChIKey: UMTGJEHDHSYNMS-UHFFFAOYAT