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| CAS No.: | 35920-39-9 |
|---|---|
| Name: | NECA |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C12H16 N6 O4 |
| Molecular Weight: | 317.35 |
| Synonyms: | 5'-N-Ethylcarboxamidoadenosine;5'-N6-Ethylcarboxamidoadenosine;744-96;Adenosine 5'-N-ethylcarboxamide;Adenosine 5'-ethylcarboxamide;D-NECA;NECA; |
| Density: | 1.87g/cm3 |
| Melting Point: | 229-231°C |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Appearance: | powder |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 28 |
| Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 148.41000 |
| LogP: | -0.86410 |
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Chemistry
Product Name: Adenosine-5'-(n-ethyl)carboxamide hemihydrate (CAS NO.35920-39-9)
Molecular Formula: C12H16N6O4
Molecular Weight: 308.2932g/mol
Mol File: 35920-39-9.mol
Appearance: White Solid
Melting Point: 229-231°C
Storage Temperature: 2-8°C
Solubility: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.2 mg/mL Solutions may be stored for several days
Density: 1.87 g/cm3
Surface Tension: 87.6 dyne/cm
XLogP3: -0.7
H-Bond Donor: 4
H-Bond Acceptor: 8
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 500ug/kg (0.5mg/kg) | Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980. | |
| mouse | LD50 | oral | 5mg/kg (5mg/kg) | Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980. |
Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Adenosine-5'-(n-ethyl)carboxamide hemihydrate (CAS NO.35920-39-9):
Hazard Codes: T+.gif){kind=small}
Risk Statements: 28
28: Very Toxic if swallowed
Safety Statements: 22-26-36-45
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
Adenosine-5'-(n-ethyl)carboxamide hemihydrate ,its CAS NO. is 35920-39-9,the synonyms is 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide ; 5'-N(Sup 6)-Ethylcarboxamidoadenosine ; 5'-N-Ethylcarboxamidoadenosine ; Adenosine-5'-(N-ethylcarboxamide) .