Benzenebutanoicacid, 3-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)- supplier

Name
FMOC-(R)-3-AMINO-4-(3-CHLORO-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 331763-57-6
Density 1.331 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₂ClNO₄
Boiling Point 639.5 °C at 760 mmHg
Molecular Weight 435.9
Flash Point 340.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fmoc-(R)-3-Amino-4-(3-chloro-phenyl)-butyric acid;(3R)-3-Amino-4-(3-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid;pentanedioic acid, 3-amino-2-(3-chlorophenyl)-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-;
PSA 75.63000
LogP 5.65540

Benzenebutanoicacid, 3-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)- Specification

The Benzenebutanoicacid, 3-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-, with the CAS registry number 331763-57-6, is also known as Fmoc-(R)-3-Amino-4-(3-chloro-phenyl)-butyric acid. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₂₅H₂₂ClNO₄ and molecular weight is 250.12. What's more, its systematic name is (3R)-3-Amino-4-(3-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid.

Physical properties of Benzenebutanoicacid, 3-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)- are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.58; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 89.62 Å²; (9)Index of Refraction: 1.639; (10)Molar Refractivity: 117.87 cm³; (11)Molar Volume: 327.4 cm³; (12)Polarizability: 46.72×10^-24cm³; (13)Surface Tension: 59.5 dyne/cm; (14)Density: 1.331 g/cm³; (15)Flash Point: 340.5 °C; (16)Enthalpy of Vaporization: 99.24 kJ/mol; (17)Boiling Point: 639.5 °C at 760 mmHg; (18)Vapour Pressure: 3.15E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)C(c4cccc(c4)Cl)C(CC(=O)O)N
(2)InChI: InChI=1S/C25H22ClNO4/c26-16-7-5-6-15(12-16)24(22(27)13-23(28)29)25(30)31-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22,24H,13-14,27H2,(H,28,29)/t22-,24?/m1/s1
(3)InChIKey: ZFJBDWMQQYJVFW-LETIRJCYSA-N

Product Name

FMOC-(R)-3-AMINO-4-(3-CHLORO-PHENYL)-BUTYRIC ACID

Benzenebutanoicacid, 3-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)- Specification

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