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| Name |
7,8-Dihydro-N-benzyladenine |
EINECS | N/A |
| CAS No. | 102366-79-0 | Density | 1.282g/cm3 |
| PSA | 61.87000 | LogP | 2.23260 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H13 N5 | Boiling Point | 454.4°Cat760mmHg |
| Molecular Weight | 227.30 | Flash Point | 228.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Purin-6-amine,7,8-dihydro-N-(phenylmethyl)- (9CI) |
7,8-Dihydro-N-benzyladenine Chemical Properties
IUPAC Name: 7,8-Dihydro-N-benzyladenine
Synonyms of 7,8-Dihydro-N-benzyladenine (CAS NO.102366-79-0): Adenine, 7,8-dihydro-N-benzyl-
CAS NO: 102366-79-0
Molecular Formula: C12H13N5
Molecular Weight: 227.2651
Molecular Structure : .png)
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 35.5 Å2
Index of Refraction: 1.669
Molar Refractivity: 66.17 cm3
Molar Volume: 177.1 cm3
Surface Tension: 62.5 dyne/cm
Density: 1.282 g/cm3
Flash Point: 228.6 °C
Enthalpy of Vaporization: 71.4 kJ/mol
Boiling Point: 454.4 °C at 760 mmHg
Vapour Pressure: 1.91E-08 mmHg at 25°C
InChI: InChI=1/C12H13N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,8,14H,6-7H2,(H2,13,15,16,17)
InChIKey: VCFTZBXEGUKNCA-UHFFFAOYAQ
Std. InChI: InChI=1S/C12H13N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,8,14H,6-7H2,(H2,13,15,16,17)
Std. InChIKey: VCFTZBXEGUKNCA-UHFFFAOYSA-N
7,8-Dihydro-N-benzyladenine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | Shokubutsu Boeki. Vol. 32, Pg. 530, 1978. | |
| mouse | LD50 | subcutaneous | 1100mg/kg (1100mg/kg) | Shokubutsu Boeki. Vol. 32, Pg. 530, 1978. | |
| rat | LD50 | oral | 2100mg/kg (2100mg/kg) | Shokubutsu Boeki. Vol. 32, Pg. 530, 1978. | |
| rat | LD50 | subcutaneous | 480mg/kg (480mg/kg) | Shokubutsu Boeki. Vol. 32, Pg. 530, 1978. |
7,8-Dihydro-N-benzyladenine Safety Profile
Moderately toxic by ingestion and subcutaneous routes. When 7,8-Dihydro-N-benzyladenine (CAS NO.102366-79-0) is heated to decomposition, it emits toxic fumes of NOx.
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