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CAS No.: | 32462-30-9 |
---|---|
Name: | 4-Hydroxy-L-phenylglycine |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H9NO3 |
Molecular Weight: | 167.164 |
Synonyms: | Benzeneaceticacid, a-amino-4-hydroxy-, (S)-;Glycine,2-(p-hydroxyphenyl)-, L- (8CI);(S)-(4-Hydroxyphenyl)glycine;(S)-2-(4-Hydroxyphenyl)glycine;L-(+)-(p-Hydroxyphenyl)glycine;L-(+)-2-(4-Hydroxyphenyl)glycine;L-(+)-4-Hydroxyphenylglycine;L-(4-Hydroxyphenyl)glycine;L-(p-Hydroxyphenyl)glycine;L-2-(p-Hydroxyphenyl)glycine;L-a-Amino-p-hydroxyphenylacetic acid;Oxfenicine;UK 25842;p-Hydroxy-L-phenylglycine; |
EINECS: | 251-061-7 |
Density: | 1.396 g/cm3 |
Melting Point: | 240 °C |
Boiling Point: | 365.8 °C at 760 mmHg |
Flash Point: | 175 °C |
Appearance: | white solid |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 69.56000 |
LogP: | 0.96170 |
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The IUPAC name of 4-Hydroxy-L-phenylglycine is (2S)-2-amino-2-(4-hydroxyphenyl)acetic acid. With the CAS registry number 32462-30-9, it is also named as Benzeneacetic acid, alpha-amino-4-hydroxy-, (S)-. The product's category is Amino Acids Series. It is white solid which must be kept away from strong oxidizer. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 4-Hydroxy-L-phenylglycine can be summarized as: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.29; (4)ACD/LogD (pH 7.4): -2.3; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 42.78 cm3; (14)Molar Volume: 119.7 cm3; (15)Polarizability: 16.96×10-24 cm3; (16)Surface Tension: 71.6 dyne/cm; (17)Enthalpy of Vaporization: 64.58 kJ/mol; (18)Vapour Pressure: 5.4E-06 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 2; (21)Exact Mass: 167.058243; (22)MonoIsotopic Mass: 167.058243; (23)Topological Polar Surface Area: 83.6; (24)Heavy Atom Count: 12; (25)Complexity: 164; (26)Defined Atom StereoCenter Count: 1.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H](N)c1ccc(O)cc1
2. InChI:InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
3. InChIKey:LJCWONGJFPCTTL-ZETCQYMHBI
4. Std. InChI:InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
5. Std. InChIKey:LJCWONGJFPCTTL-ZETCQYMHSA-N