-
Name
(S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-2-METHYLHEPT-6-ENOIC ACID
- EINECS 2017-001-1
- CAS No. 288617-73-2
- Article Data10
- CAS DataBase
- Density 1.186 g/cm3
- Solubility
- Melting Point
- Formula C23H25NO4
- Boiling Point 591.736 °C at 760 mmHg
- Molecular Weight 379.45
- Flash Point 311.671 °C
- Transport Information
- Appearance
- Safety 61
- Risk Codes 50
-
Molecular Structure
- Hazard Symbols N
- Synonyms (S)-N-Fmoc-2-(4'-pentenyl)alanine;
- PSA 75.63000
- LogP 5.11560
(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-6-heptenoic acid Specification
This chemical is called (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-6-heptenoic acid, and it can also be named as (S)-2-{[(9H-Fluoren-9-yl)methoxy]carbonylamino}-2-methylhept-6-enoic acid. With the molecular formula of C23H25NO4, its molecular weight is 379.45. The CAS registry number of this chemical is 288617-73-2.
Other characteristics of the (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-6-heptenoic acid can be summarised as followings: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.599; (4)ACD/LogD (pH 7.4): 2.034; (5)ACD/BCF (pH 5.5): 110.955; (6)ACD/BCF (pH 7.4): 3.024; (7)ACD/KOC (pH 5.5): 288.811; (8)ACD/KOC (pH 7.4): 7.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 106.811 cm3; (15)Molar Volume: 320.024 cm3; (16)Polarizability: 42.343×10-24cm3; (17)Surface Tension: 49.241 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 311.671 °C; (20)Enthalpy of Vaporization: 92.822 kJ/mol; (21)Boiling Point: 591.736 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C[C@](CCCC=C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
2.InChI: InChI=1/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)/t23-/m0/s1
3.InChIKey: MRJFPZWLOJOINV-QHCPKHFHBS
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View