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1211504-14-1

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Basic Information
CAS No.: 1211504-14-1
Name: N-Fmoc-2-amino-2-(pent-4-enyl)dec-9-enoic acid
Molecular Structure:
Molecular Structure of 1211504-14-1 (N-Fmoc-2-amino-2-(pent-4-enyl)dec-9-enoic acid)
Formula: C30H37NO4
Molecular Weight: 475.62
Synonyms: 2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2-(4-penten-1-yl)-9-decenoic acid;
Density: 1.1±0.1 g/cm3
Boiling Point: 637.4±55.0 °C at 760 mmHg
Flash Point: 339.3±31.5 °C
PSA: 75.63000
LogP: 7.62230
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Specification

The N-Fmoc-2-amino-2-(pent-4-enyl)dec-9-enoic acid, with the CAS registry number 1211504-14-1, is also known as 9-Decenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(4-penten-1-yl)-. This chemical's molecular formula is C30H37NO4 and molecular weight is 475.62. What's more, its systematic name is 2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2-(4-penten-1-yl)-9-decenoic acid 

Physical properties of N-Fmoc-2-amino-2-(pent-4-enyl)dec-9-enoic acid are: (1)ACD/LogP: 8.85±0.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.91; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 35996.48; (6)ACD/BCF (pH 7.4): 1013.15; (7)ACD/KOC (pH 5.5): 17806.59; (8)ACD/KOC (pH 7.4): 501.18; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 139.0±0.3 cm3; (15)Molar Volume: 430.7±3.0 cm3; (16)Polarizability: 55.1±0.5×10-24cm3; (17)Surface Tension: 45.0±3.0 dyne/cm; (18)Density: 1.1±0.1 g/cm3; (19)Flash Point: 339.3±31.5 °C; (20)Enthalpy of Vaporization: 99.0±3.0 kJ/mol; (21)Boiling Point: 637.4±55.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=CCCCCCCC(CCCC=C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)Std. InChI: InChI=1S/C30H37NO4/c1-3-5-7-8-9-15-21-30(28(32)33,20-14-6-4-2)31-29(34)35-22-27-25-18-12-10-16-23(25)24-17-11-13-19-26(24)27/h3-4,10-13,16-19,27H,1-2,5-9,14-15,20-22H2,(H,31,34)(H,32,33)
(3)Std. InChIKey: RIXPIEWIUCWNTP-UHFFFAOYSA-N