Products Categories
| CAS No.: | 52799-86-7 |
|---|---|
| Name: | H-TYR-OBZL |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
|
| Formula: | C23H23NO3 |
| Molecular Weight: | 361.441 |
| Synonyms: | Alanine, 3-[p-(benzyloxy)phenyl]-, benzyl ester (7CI); |
| Density: | 1.173 g/cm3 |
| Melting Point: | 94-96℃ |
| Boiling Point: | 514.844 °C at 760 mmHg |
| Flash Point: | 185.067 °C |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 22-50 |
| Safety: | 61 |
| PSA: | 61.55000 |
| LogP: | 4.57910 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- Total:33 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The O-Benzyltyrosine benzyl ester, with the CAS registry number 52799-86-7, is also known as L-Tyrosine, O-(phenylmethyl)-, phenylmethyl ester. This chemical's molecular formula is C23H23NO3 and molecular weight is 361.43. What's more, its systematic name is Benzyl O-benzyltyrosinate.
Physical properties of O-Benzyltyrosine benzyl ester are: (1)ACD/LogP: 4.625; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 40.77; (6)ACD/BCF (pH 7.4): 1201.15; (7)ACD/KOC (pH 5.5): 165.33; (8)ACD/KOC (pH 7.4): 4871.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 61.55 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 105.99 cm3; (15)Molar Volume: 308.206 cm3; (16)Polarizability: 42.018×10-24cm3; (17)Surface Tension: 49.0 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 185.067 °C; (20)Enthalpy of Vaporization: 78.658 kJ/mol; (21)Boiling Point: 514.844 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)C(N)Cc3ccc(OCc2ccccc2)cc3
(2)Std. InChI: InChI=1S/C23H23NO3/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19/h1-14,22H,15-17,24H2
(3)Std. InChIKey: UCRXQUVKDMVBBM-UHFFFAOYSA-N