Products Categories
CAS No.: | 614-19-7 |
---|---|
Name: | 3-Amino-3-phenylpropionic acid |
Article Data: | 70 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | Hydrocinnamicacid, beta-amino- (6CI,7CI,8CI);beta-Phenyl-beta-alanine;3-Amino-3-phenylpropanoic acid;3-Phenyl-beta-alanine;DL-3-Amino-3-phenylpropionic acid;DL-beta-Phenyl-beta-alanine;NSC 122793;NSC 132827;NSC 1979;NSC 32026;Phenyl-beta-alanine;beta-Alanine, 3-phenyl-; |
EINECS: | 210-371-2 |
Density: | 1.198 g/cm3 |
Melting Point: | 222 °C |
Boiling Point: | 307.5 °C at 760 mmHg |
Flash Point: | 139.8 °C |
Solubility: | soluble in water |
Appearance: | white crystalline powder |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 24/25-37/39 |
PSA: | 63.32000 |
LogP: | 1.86140 |
What can I do for you?
Get Best Price
The IUPAC name of beta-Phenyl-beta-alanine is 3-amino-3-phenylpropanoic acid. With the CAS registry number 614-19-7, it is also named as Benzenepropanoic acid, beta-amino-. The product's categories are Benzene Series; Amino Acids and Derivatives; Organic Acids; B-Amino. Besides, it is white crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. In addition, its molecular formula is C9H11NO2 and molecular weight is 165.19.
The other characteristics of this product can be summarized as: (1)EINECS: 210-371-2; (2)ACD/LogP: 0.91; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.59; (5)ACD/LogD (pH 7.4): -1.59; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 45.53 cm3; (15)Molar Volume: 137.8 cm3; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.198 g/cm3; (18)Flash Point: 139.8 °C; (19)Melting point: 222 °C; (20)Water solubility: 8650 mg/L at 25 °C; (21)Enthalpy of Vaporization: 57.88 kJ/mol; (22)Boiling Point: 307.5 °C at 760 mmHg; (23)Vapour Pressure: 0.000313 mmHg at 25 °C.
Preparation of beta-Phenyl-beta-alanine: this chemical can be prepared by β-(N-Phenylacetylamino)-β-phenylpropionic acid.
This reaction needs aq. KOH at ambient temperature. The yield is 69 %.
Uses of beta-Phenyl-beta-alanine: this chemical is used for biochemical research. Similarly, it can react with Isonicotinoyl chloride to get Isonicotinoyl-L-β-Phe.
This reaction needs 0.05 N Sodium hydroxide and H2O at temperature of -5 °C for 4 hours. The yield is 83 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. Please avoid contact with skin and eyes. And you should wear gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)CC(N)c1ccccc1
(2)InChI: InChI=1/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
(3)InChIKey: UJOYFRCOTPUKAK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
(5)Std. InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N