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6292-90-6

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Basic Information
CAS No.: 6292-90-6
Name: L-TYROSINE BUTYL ESTER
Article Data: 1
Molecular Structure:
Molecular Structure of 6292-90-6 (L-TYROSINE BUTYL ESTER)
Formula: C13H19NO3
Molecular Weight: 237.299
Synonyms: Tyrosine,butyl ester (7CI);Tyrosine, butyl ester, L- (8CI);Butyl L-tyrosinate;L-Tyrosine n-butyl ester;NSC 9974;
Density: 1.125 g/cm3
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 177.7 °C
PSA: 72.55000
LogP: 2.30560
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Specification

The L-Tyrosine, butyl ester is an organic compound with the formula C13H19NO3. The IUPAC name of this chemical is butyl 2-amino-3-(4-hydroxyphenyl)propanoate. With the CAS registry number 6292-90-6, it is also named as Butyl L-tyrosinate.

Physical properties about L-Tyrosine, butyl ester are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 12.83; (6)ACD/KOC (pH 5.5): 5.1; (7)ACD/KOC (pH 7.4): 180.67; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 72.55 Å2; (12)Index of Refraction: 1.539; (13)Molar Refractivity: 66.11 cm3; (14)Molar Volume: 210.7 cm3; (15)Polarizability: 26.21×10-24cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.125 g/cm3; (18)Flash Point: 177.7 °C; (19)Enthalpy of Vaporization: 64.13 kJ/mol; (20)Boiling Point: 370.2 °C at 760 mmHg; (21)Vapour Pressure: 5.28E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(C[C@H](N)C(=O)OCCCC)cc1
(2)InChI: InChI=1/C13H19NO3/c1-2-3-8-17-13(16)12(14)9-10-4-6-11(15)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3/t12-/m0/s1
(3)InChIKey: DCAUNIBIBOKWOZ-LBPRGKRZBR
(4)Std. InChI: InChI=1S/C13H19NO3/c1-2-3-8-17-13(16)12(14)9-10-4-6-11(15)7-5-10/h4-7,12,15H,2-3,8-9,14H2,1H3/t12-/m0/s1
(5)Std. InChIKey: DCAUNIBIBOKWOZ-LBPRGKRZSA-N