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| CAS No.: | 55447-00-2 |
|---|---|
| Name: | (S)-N-Boc-1-Naphthylalanine |
| Molecular Structure: | |
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| Formula: | C18H21NO4 |
| Molecular Weight: | 315.369 |
| Synonyms: | 1-Naphthalenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(naphthalen-1-yl)propionic acid;N-(tert-Butoxycarbonyl)-L-(1-naphthyl)alanine;Boc-3-(1-Naphthyl)-Alanine;Boc-1-Nal-OH; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 144oC |
| Boiling Point: | 512.2 °C at 760 mmHg |
| Flash Point: | 263.6 °C |
| Appearance: | off-white to beige crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 22-24/25 |
| PSA: | 75.63000 |
| LogP: | 3.75110 |
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Specification
The CAS register number of Boc-1-Nal-OH is 55447-00-2. It also can be called as N-tert-Butoxycarbonyl-1-naphthyl-L-alanine and the IUPAC name about this chemical is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoate. The molecular formula about this chemical is C18H21NO4 and the molecular weight is 315.36. It belongs to the following product categories, such as Amino Acids; PhenylAlAnine AnAlogs and other AromAtic AlphA Amino Acids; Amino Acid DerivAtives; AlAnine [AlA, A]; UnusuAl Amino Acids; Boc-Amino Acid series; A-Amino and so on. This chemical can be stored at -15 °C. When you are using it, please avoid contact with skin and eyes and do not breathe dust.
Physical properties about Boc-1-Nal-OH are: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 7.69; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.65; (7)ACD/KOC (pH 7.4): 1.29; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 88.3 cm3; (14)Molar Volume: 262.7 cm3; (15)Polarizability: 35x10-24cm3; (16)Surface Tension: 48.4 dyne/cm; (17)Enthalpy of Vaporization: 82.48 kJ/mol; (18)Boiling Point: 512.2 °C at 760 mmHg; (19)Vapour Pressure: 2.58E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc2cccc1ccccc12
(2)InChI: InChI=1/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m0/s1
(3)InChIKey: KHHIGWRTNILXLL-HNNXBMFYBT
(4)Std. InChI: InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-13-9-6-8-12-7-4-5-10-14(12)13/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m0/s1
(5)Std. InChIKey: KHHIGWRTNILXLL-HNNXBMFYSA-N