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Name |
1,4-Benzodioxin-2-methanamine,2,3-dihydro- |
EINECS | 224-671-6 |
CAS No. | 4442-59-5 | Density | 1.154 g/cm3 |
PSA | 44.48000 | LogP | 1.48540 |
Solubility | N/A | Melting Point |
184-188 °C |
Formula | C9H11NO2 | Boiling Point | 266 °C at 760 mmHg |
Molecular Weight | 165.192 | Flash Point | 124.1 °C |
Transport Information | UN 2735 | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 34-41-37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,4-Benzodioxan,2-(aminomethyl)- (6CI);1,4-Benzodioxan-2-methylamine (7CI,8CI);1,4-Benzodioxane-2-methylamine;2-(Aminomethyl)-1,4-benzodioxan;2-Aminomethyl-1,4-benzodioxane;2-Aminomethyl-2,3-dihydro-1,4-benzodioxin;N-[(2,3-Dihydrobenzo[1,4]dioxin-2-yl)methyl]amine;NSC 116045;[(2,3-Dihydro-1,4-benzdioxin-2-yl)methyl]amine;[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]amine; |
Article Data | 9 |
The 1, 4-Benzodioxin-2-methanamine, 2, 3-dihydro-, with the CAS registry number of 4442-59-5, is also known as 2-(Aminomethyl)-1, 4-benzodioxan. Its EINECS registry number is 224-671-6. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its IUPAC name is 2, 3-Dihydro-1, 4-benzodioxin-3-ylmethanamine.
Physical properties about 1, 4-Benzodioxin-2-methanamine, 2, 3-dihydro- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -0.57; (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): 2.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 45.25 cm3; (15)Molar Volume: 143 cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.154 g/cm3; (18)Flash Point: 124.1 °C; (19)Enthalpy of Vaporization: 50.4 kJ/mol; (20)Boiling Point: 266 °C at 760 mmHg; (21)Vapour Pressure: 0.00885 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system and skin. In addition, this chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O1c2c(OC(C1)CN)cccc2
(2) InChI: InChI=1/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2
(3) InChIKey: JHNURUNMNRSGRO-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | intravenous | 60mg/kg (60mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 55, Pg. 15, 1937. |