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33043-37-7

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Basic Information
CAS No.: 33043-37-7
Name: (R)-N-ACETYL-3,4-DIMETHOXYPHENYLALANINE
Article Data: 4
Molecular Structure:
Molecular Structure of 33043-37-7 ((R)-N-ACETYL-3,4-DIMETHOXYPHENYLALANINE)
Formula: C13H17NO5
Molecular Weight: 267.28
Synonyms: N-Acetyl-D-veratrylglycine;Alanine,N-acetyl-3-(3,4-dimethoxyphenyl)-, D- (8CI);
Density: 1.21 g/cm3
Melting Point: 150-152 °C(lit.)
Boiling Point: 502.5 °C at 760 mmHg
Flash Point: 257.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 84.86000
LogP: 1.22650
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Specification

The CAS registry number of D-Tyrosine,N-acetyl-3-methoxy-O-methyl- is 33043-37-7. This chemical is also named as (R)-N-Acetyl-3,4-dimethoxyphenylalanine. In addition, its molecular formula is C13H17NO5 and molecular weight is 267.28. Its systematic name is called N-acetyl-3-methoxy-O-methyltyrosine.

Physical properties about D-Tyrosine,N-acetyl-3-methoxy-O-methyl- are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.69; (4)ACD/LogD (pH 7.4): -3.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 68.2 cm3; (14)Molar Volume: 220.7 cm3; (15)Surface Tension: 44 dyne/cm; (16)Density: 1.21 g/cm3; (17)Flash Point: 257.7 °C; (18)Enthalpy of Vaporization: 81.24 kJ/mol; (19)Boiling Point: 502.5 °C at 760 mmHg.

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)SMILES: O=C(O)C(NC(=O)C)Cc1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C13H17NO5/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17)
(3)InChIKey: CDJLVVKXGZXTPW-UHFFFAOYAZ