Basic information
- Name:
1-Naphthalenepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-
- Superlist Name:
- (S)-N-Fmoc-1-Naphthylalanine
- CAS No.:
96402-49-2
- Molecular Structure:
![Molecular Structure of 96402-49-2 (1-Naphthalenepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-)](http://www.lookchem.com/300w/2010/0611/96402-49-2.jpg)
- Formula:
- C28H23NO4
- Molecular Weight:
- 437.49
- Synonyms:
- 1-Naphthalenepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;Fmoc-3-(1-Naphthyl)-Alanine;Fmoc-1-Nal-OH;
- Density:
- 1.296 g/cm3
- Boiling Point:
- 690.7 °C at 760 mmHg
- Flash Point:
- 371.6 °C
- Appearance:
- white to beige powder
- Hazard Symbols:
Xi- Safety Description:
- 22-24/25 Details
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Specification
The CAS register number of (S)-N-Fmoc-1-Naphthylalanine is 96402-49-2. It also can be called as N-(9-Fluorenylmethoxycarbonyl)-1-naphthyl-L-alanine and the IUPAC name about this chemical is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoate. The molecular formula about this chemical is C28H23NO4 and the molecular weight is 437.49. 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; Fmoc-Amino Acid series; A-Amino and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about (S)-N-Fmoc-1-Naphthylalanine are: (1)ACD/LogP: 6.64; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 466.47; (6)ACD/BCF (pH 7.4): 17.35; (7)ACD/KOC (pH 5.5): 695.6; (8)ACD/KOC (pH 7.4): 25.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 126.24 cm3; (15)Molar Volume: 337.5 cm3; (16)Polarizability: 50.04x10-24cm3; (17)Surface Tension: 59.6 dyne/cm; (18)Enthalpy of Vaporization: 106.31 kJ/mol; (19)Boiling Point: 690.7 °C at 760 mmHg; (20)Vapour Pressure: 4.95E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc5c4ccccc4ccc5
(2)InChI: InChI=1/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
(3)InChIKey: ORWNVJDLEMVDLV-SANMLTNEBC
(4)Std. InChI: InChI=1S/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
(5)Std. InChIKey: ORWNVJDLEMVDLV-SANMLTNESA-N
