Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-3-(P-Methylphenyl)-beta-alanine |
EINECS | N/A |
CAS No. | 479064-87-4 | Density | 1.163 g/cm3 |
PSA | 63.32000 | LogP | 2.16980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13NO2 | Boiling Point | 325.5 °C at 760 mmHg |
Molecular Weight | 179.219 | Flash Point | 150.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
H-D-b-Phe(4-Me)-OH;(R)-3-Amino-(4-tolyl)propionicacid; |
Article Data | 5 |
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