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| CAS No.: | 90764-56-0 |
|---|---|
| Name: | AIAH |
| Molecular Structure: | |
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| Formula: | C8H15IN2O3 |
| Molecular Weight: | 314.123 |
| Synonyms: | N6-(Iodoacetyl)-L-lysine;2-AIPA; |
| Density: | 1.706 g/cm3 |
| Boiling Point: | 500 °C at 760 mmHg |
| Flash Point: | 256.2 °C |
| PSA: | 92.42000 |
| LogP: | 1.21100 |
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- Total:3 Page 1 of 1 1
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Specification
The L-Lysine,N6-(2-iodoacetyl)-, with the CAS registry number 90764-56-0, is also known as 2-AIPA. This chemical's molecular formula is C8H15IN2O3 and molecular weight is 314.12. What's more, its systematic name is N6-(Iodoacetyl)-L-lysine. Its classification code is Drug/Therapeutic Agent.
Physical properties of L-Lysine,N6-(2-iodoacetyl)- are: (1)ACD/LogP: -0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -2.88; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 60.76 cm3; (15)Molar Volume: 184 cm3; (16)Polarizability: 24.08×10-24 cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 256.2 °C; (20)Enthalpy of Vaporization: 84.13 kJ/mol; (21)Boiling Point: 500 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC(=O)NCCCC[C@H](N)C(=O)O
(2)InChI: InChI=1/C8H15IN2O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1
(3)InChIKey: PEVDSQTZJOGTKZ-LURJTMIEBK
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 73400ug/kg (73.4mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cancer Letters Vol. 67, Pg. 193, 1992. Link to PubMed |
| rat | LD50 | intramuscular | 42100ug/kg (42.1mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cancer Letters Vol. 67, Pg. 193, 1992. Link to PubMed |
| rat | LD50 | intraperitoneal | 38900ug/kg (38.9mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Cancer Letters Vol. 67, Pg. 193, 1992. Link to PubMed |