Basic information
- Name:
L-Tyrosine, N-acetyl-,acetate (ester) (9CI)
- CAS No.:
17355-23-6
- Molecular Structure:
- Formula:
- C13H15NO5
- Molecular Weight:
- 265.26
- Synonyms:
- Tyrosine,N-acetyl-, acetate (ester), L- (8CI);N,O-Diacetyl-L-tyrosine;O,N-Diacetyl-L-tyrosine;
- EINECS:
- 241-383-6
- Density:
- 1.261g/cm3
- Boiling Point:
- 512.6 °C at 760 mmHg
- Flash Point:
- 263.8 °C
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Specification
The L-Tyrosine, N-acetyl-,acetate (ester) (9CI) is an organic compound with the formula C13H15NO5. The IUPAC name of this chemical is (2S)-2-acetamido-3-(4-acetyloxyphenyl)propanoic acid. With the CAS registry number 17355-23-6, it is also named as Acetyl N-acetyl-L-tyrosinate.
Physical properties about L-Tyrosine, N-acetyl-,acetate (ester) (9CI) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 21.34; (4)ACD/KOC (pH 7.4): 21.24; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 92.7 Å2; (9)Index of Refraction: 1.543; (10)Molar Refractivity: 66.23 cm3; (11)Molar Volume: 210.1 cm3; (12)Polarizability: 26.25×10-24cm3; (13)Surface Tension: 49.7 dyne/cm; (14)Density: 1.262 g/cm3; (15)Flash Point: 263.8 °C; (16)Enthalpy of Vaporization: 81.35 kJ/mol; (17)Boiling Point: 512.6 °C at 760 mmHg; (18)Vapour Pressure: 3.95E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(C[C@H](NC(C)=O)C(=O)OC(C)=O)cc1
(2)InChI: InChI=1/C13H15NO5/c1-8(15)14-12(13(18)19-9(2)16)7-10-3-5-11(17)6-4-10/h3-6,12,17H,7H2,1-2H3,(H,14,15)/t12-/m0/s1
(3)InChIKey: QFNMSDIRMFONHR-LBPRGKRZBW
(4)Std. InChI: InChI=1S/C13H15NO5/c1-8(15)14-12(13(18)19-9(2)16)7-10-3-5-11(17)6-4-10/h3-6,12,17H,7H2,1-2H3,(H,14,15)/t12-/m0/s1
(5)Std. InChIKey: QFNMSDIRMFONHR-LBPRGKRZSA-N