CAS No.34840-85-2,3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34840-85-2
Name:	3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid
Article Data:	15

Formula:	C₁₁H₁₅NO₄
Molecular Weight:	225.244
Synonyms:	3-AMINO-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID;DL-BETA-(3,4-DIMETHOXYPHENYL)ALANINE;DL-3-AMINO-3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID;RARECHEM AK HC T253;TIMTEC-BB SBB000651;SPECS AG-205/40088415;DL--(3,4-Dimethoxyphenyl)alanine;3-(3,4-DIMETHOXYPHENYL)-DL-BETA-ALANINE
Density:	1.212 g/cm³
Melting Point:	223 °C (dec.)(lit.)
Boiling Point:	379.667 °C at 760 mmHg
Flash Point:	183.416 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
Safety:	22-24/25
PSA:	81.78000
LogP:	1.87860

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Specification

The 3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid, with the CAS registry number of 34840-85-2, is also known as DL-beta-(3,4-Dimethoxyphenyl)alanine. This chemical's molecular formula is C₁₁H₁₅NO₄ and molecular weight is 225.24. What's more, its IUPAC name is 3-Amino-3-(3, 4-dimethoxyphenyl)propanoic acid.

Physical properties about are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 58.89 cm³; (15)Molar Volume: 185.8 cm³; (16)Polarizability: 23.34×10^-24 cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 183.4 °C; (20)Enthalpy of Vaporization: 66.22 kJ/mol; (21)Boiling Point: 379.7 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-06 mmHg at 25 °C; (23)Melting Point: 223 °C (dec. )(lit. ).

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(c1cc(OC)c(OC)cc1)N
(2) InChI: InChI=1/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
(3) InChIKey: FGCXSFRGPCUBPW-UHFFFAOYAM