(2S)-2-[(4-Iodobenzoyl)amino]pentanedioic acid supplier

Name
N-(4-iodobenzoyl)-L-glutamic acid
EINECS 254-229-8
CAS No. 38974-68-4
Density 1.817 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂INO₅
Boiling Point 583.3 °C at 760 mmHg
Molecular Weight 377.135
Flash Point 306.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Glutamic acid, N-(4-iodobenzoyl)-;N-(4-Iodobenzoyl)-L-glutamic acid;
PSA 103.70000
LogP 1.72990

(2S)-2-[(4-Iodobenzoyl)amino]pentanedioic acid Specification

The IUPAC name of this product is (2S)-2-[(4-Iodobenzoyl)amino]pentanedioic acid, with the CAS registry number of 38974-68-4. It is also named as N-(4-Iodobenzoyl)-L-glutamic acid. Its EINECS registry number is 254-229-8. This chemical's molecular formula is C₁₂H₁₂INO₅ and molecular weight is 377.13185.

Physical properties about (2S)-2-[(4-Iodobenzoyl)amino]pentanedioic acid are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -3.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 74.4 cm³; (15)Molar Volume: 207.5 cm³; (16)Polarizability: 29.49×10^-24 cm³; (17)Surface Tension: 68.1 dyne/cm; (18)Density: 1.817 g/cm³; (19)Flash Point: 306.5 °C; (20)Enthalpy of Vaporization: 91.7 kJ/mol; (21)Boiling Point: 583.3 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(I)cc1)N[C@H](C(=O)O)CCC(=O)O
(2) InChI: InChI=1/C12H12INO5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
(3) InChIKey: PQOYLAVKDNWUOQ-VIFPVBQEBE

Product Name

N-(4-iodobenzoyl)-L-glutamic acid

(2S)-2-[(4-Iodobenzoyl)amino]pentanedioic acid Specification

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