(R)-3-(P-Methylphenyl)-beta-alanine supplier

Name
(R)-3-(P-Methylphenyl)-beta-alanine
EINECS
CAS No. 479064-87-4
Article Data5
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃NO₂
Boiling Point 325.5 °C at 760 mmHg
Molecular Weight 179.219
Flash Point 150.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-D-b-Phe(4-Me)-OH;(R)-3-Amino-(4-tolyl)propionicacid;
PSA 63.32000
LogP 2.16980

(R)-3-(P-Methylphenyl)-beta-alanine Specification

The CAS register number of (R)-3-(P-Methylphenyl)-beta-alanine is 479064-87-4. It also can be called as (R)-3-Amino-(4-tolyl)propionicacid and the systematic name about this chemical is (3R)-3-amino-3-(4-methylphenyl)propanoic acid. The molecular formula about this chemical is C₁₀H₁₃NO₂ and the molecular weight is 179.21572.

Physical properties about (R)-3-(P-Methylphenyl)-beta-alanine are: (1)ACD/LogP: 1.37; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 29.54 Å²; (6)Index of Refraction: 1.567; (7)Molar Refractivity: 50.36 cm³; (8)Molar Volume: 154 cm³; (9)Polarizability: 19.96x10^-24cm³; (10)Surface Tension: 50.5 dyne/cm; (11)Density: 1.163 g/cm³; (12)Flash Point: 150.7 °C; (13)Enthalpy of Vaporization: 59.93 kJ/mol; (14)Boiling Point: 325.5 °C at 760 mmHg; (15)Vapour Pressure: 9.32E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](N)c1ccc(cc1)C
(2)InChI: InChI=1/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(3)InChIKey: XPDAKEOBPKFUAH-SECBINFHBB
(4)Std. InChI: InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
(5)Std. InChIKey: XPDAKEOBPKFUAH-SECBINFHSA-N

Product Name

(R)-3-(P-Methylphenyl)-beta-alanine

(R)-3-(P-Methylphenyl)-beta-alanine Specification

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