-
Name
FMOC-12-AMINODODECANOIC ACID
- EINECS
- CAS No. 128917-74-8
- Article Data8
- CAS DataBase
- Density 1.119 g/cm3
- Solubility
- Melting Point 102 °C
- Formula C27H35NO4
- Boiling Point 628.8 °C at 760 mmHg
- Molecular Weight 437.579
- Flash Point 334.1 °C
- Transport Information
- Appearance
- Safety 22-24/25
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Fmoc-12-Ado-OH; 12-(Fmoc-amino)dodecanoic acid; 12-(9-fluorenylmethoxycarbonyl)-N-aminododecanoic acid; Fmoc(12-aminododecanic acid)-OH; N-Fmoc-12-aminododecanoic acid; 12-[N-(9H-fluoren-9-yl-methoxycarbonyl)amino]dodecanoic acid; Dodecanoicacid,12-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]; 12-(fluorenylmethyl carbamate)dodecanoic acid; AmbotzFAA1635; 查看更多英文别名 收起
- PSA 75.63000
- LogP 6.90160
Dodecanoicacid, 12-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- Specification
The Dodecanoicacid, 12-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with the CAS registry number of 128917-74-8, is also known as 12-(Fmoc-amino)dodecanoic acid. It belongs to the product category of Amino Acids. Its molecular formula is C27H35NO4 and molecular weight is 437.57. What's more, its IUPAC name is 12-(9H-Fluoren-9-ylmethoxycarbonylamino)dodecanoic acid.
Physical properties about the Dodecanoicacid, 12-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- are: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.5; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 33204.13; (6)ACD/BCF (pH 7.4): 532.66; (7)ACD/KOC (pH 5.5): 35608.07; (8)ACD/KOC (pH 7.4): 571.22; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 125.65 cm3; (15)Molar Volume: 390.9 cm3; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.119 g/cm3; (18)Flash Point: 334.1 °C; (19)Enthalpy of Vaporization: 97.79 kJ/mol; (20)Boiling Point: 628.8 °C at 760 mmHg; (21)Vapour Pressure: 1.12E-16 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCCCCNC(=O)OCC3c1ccccc1c2c3cccc2
(2) InChI: InChI=1/C27H35NO4/c29-26(30)18-8-6-4-2-1-3-5-7-13-19-28-27(31)32-20-25-23-16-11-9-14-21(23)22-15-10-12-17-24(22)25/h9-12,14-17,25H,1-8,13,18-20H2,(H,28,31)(H,29,30)
(3) InChIKey: HVGIKYAQSSNFCH-UHFFFAOYAO
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