Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-3-(Boc-amino)-5-phenylpentanoic acid |
EINECS | N/A | ||
CAS No. | 218608-84-5 | Density | 1.121g/cm3 | ||
PSA | 75.63000 | LogP | 3.37810 | ||
Solubility | N/A | Melting Point |
N/A |
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Formula | C16H23NO4 | Boiling Point | 474.6°Cat760mmHg | ||
Molecular Weight | 293.363 | Flash Point | 240.8°C | ||
Transport Information | N/A | Appearance | N/A | ||
Safety |
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Risk Codes | N/A | ||
Molecular Structure | Hazard Symbols | N/A | |||
Synonyms |
(3S)-3-[(tert-Butoxycarbonyl)amino]-5-phenylvalericacid; |
Article Data | 4 |
The (S)-3-(Boc-amino)-5-phenylpentanoic acid with cas registry number of 218608-84-5, belongs to the following product categories: (1)3-Amino-4-phenylbutanoic Acid Analogs; (2)B-Amino. Its systematic name is (3S)-3-[(tert-butoxycarbonyl)amino]-5-phenylpentanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 11.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 89.21; (8)ACD/KOC (pH 7.4): 1.47; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 79.72 cm3; (15)Molar Volume: 261.6 cm3; (16)Polarizability: 31.6×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Enthalpy of Vaporization: 77.74 kJ/mol; (19)Vapour Pressure: 8.18E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (S)-3-(Boc-amino)-5-phenylpentanoic acid is irritant , so do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OC(C)(C)C)N[C@@H](CCc1ccccc1)CC(=O)O;
(2)InChI:InChI=1/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1;
(3)InChIKey:MYWZFJXOLAXENE-ZDUSSCGKBB;
(4)Std. InChI:InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1;
(5)Std. InChIKey:MYWZFJXOLAXENE-ZDUSSCGKSA-N.