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CAS No.: | 26250-87-3 |
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Name: | L-β-Homophenylalanine, HPLC 98% |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H13NO2 |
Molecular Weight: | 179.219 |
Synonyms: | Benzenebutanoicacid, b-amino-, (S)-;Butyric acid, 3-amino-4-phenyl-, L- (8CI);(3S)-(+)-3-Amino-4-phenylbutyricacid;(.Beta.S)-.Beta.-amino-benzenebutanoic acid; |
Density: | 1.164 g/cm3 |
Melting Point: | 207℃ |
Boiling Point: | 324.8 °C at 760 mmHg |
Flash Point: | 150.2 °C |
PSA: | 63.32000 |
LogP: | 1.73140 |
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The CAS register number of Benzenebutanoicacid, b-amino-, (bS)- is 26250-87-3. It also can be called as (3S)-(+)-3-Amino-4-phenylbutyricacid and the systematic name about this chemical is 2-amino-4-phenylbutanoic acid. The molecular formula about this chemical is C10H13NO2 and the molecular weight is 179.21872.
Physical properties about Benzenebutanoicacid, b-amino-, (bS)- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): -0.97; (3)ACD/LogD (pH 7.4): -0.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 50.12 cm3; (14)Molar Volume: 153.9 cm3; (15)Polarizability: 19.87x10-24cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.164 g/cm3; (18)Flash Point: 150.2 °C; (19)Enthalpy of Vaporization: 59.84 kJ/mol; (20)Boiling Point: 324.8 °C at 760 mmHg; (21)Vapour Pressure: 9.79E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCc1ccccc1
(2)InChI: InChI=1/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
(3)InChIKey: JTTHKOPSMAVJFE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
(5)Std. InChIKey: JTTHKOPSMAVJFE-UHFFFAOYSA-N