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Name |
Benzoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- |
EINECS | N/A |
CAS No. | 185116-42-1 | Density | 1.352 g/cm3 |
PSA | 75.63000 | LogP | 4.81880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H17NO4 | Boiling Point | 548.3 °C at 760 mmHg |
Molecular Weight | 359.381 | Flash Point | 285.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-[[(9-Fluorenyl)methoxycarbonyl]amino]benzoicacid; |
Article Data | 11 |
The Benzoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with the CAS registry number 185116-42-1, is also known as 3-(Fmoc-amino)benzoic acid. It belongs to the product categories of FMOC; Miscellaneous Amino Acids; Pharmacetical; Amino Acids. This chemical's molecular formula is C22H17NO4 and molecular weight is 359.37468. Its IUPAC name is called 3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid.
Physical properties of Benzoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 357.02; (6)ACD/BCF (pH 7.4): 10.55; (7)ACD/KOC (pH 5.5): 953.03; (8)ACD/KOC (pH 7.4): 28.17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.684; (13)Molar Refractivity: 101 cm3; (14)Molar Volume: 265.7 cm3; (15)Surface Tension: 64 dyne/cm; (16)Density: 1.352 g/cm3; (17)Flash Point: 285.4 °C; (18)Enthalpy of Vaporization: 87.12 kJ/mol; (19)Boiling Point: 548.3 °C at 760 mmHg; (20)Vapour Pressure: 7.42E-13 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C(=O)O
(2)InChI: InChI=1S/C22H17NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
(3)InChIKey: VFXDSSUGFNVDJP-UHFFFAOYSA-N