Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-N-Boc-1-Naphthylalanine |
EINECS | N/A |
CAS No. | 76932-48-4 | Density | 1.2 g/cm3 |
PSA | 66.84000 | LogP | 4.05440 |
Solubility | N/A | Melting Point |
145-148 °C(lit.) |
Formula | C18H21NO4 | Boiling Point | 512.2 °C at 760 mmHg |
Molecular Weight | 315.369 | Flash Point | 263.6 °C |
Transport Information | N/A | Appearance | off-white to yellowish crystalline powder |
Safety | 24/25 | Risk Codes | R24/25 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boc-3-(1-Naphthyl)-D-Alanine;Boc-D-1-Nal-OH;1-Naphthalenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)-;(R)-2-[(tert-Butoxycarbonyl)amino]-3-(naphthalen-1-yl)propionic acid;BOC-(1-naphthyl)-D-alanine; |
Article Data | 6 |
The CAS register number of Boc-D-1-Nal-OH is 76932-48-4. It also can be called as N-tert-Butoxycarbonyl-1-naphthyl-D-alanine and the IUPAC name about this chemical is (2R)-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; AlAnine [AlA, A]; UnusuAl Amino Acids; Boc-Amino Acid series; A-Amino and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about Boc-D-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-/m1/s1
(3)InChIKey: KHHIGWRTNILXLL-OAHLLOKOBC
(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-/m1/s1
(5)Std. InChIKey: KHHIGWRTNILXLL-OAHLLOKOSA-N