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| CAS No.: | 20719-68-0 |
|---|---|
| Name: | Isopropylamine, 2-(methoxymethyl)- |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C5H13NO |
| Molecular Weight: | 103.164 |
| Synonyms: | tert-Butylamine, 1-methoxy-;Isopropylamine, 2-(methoxymethyl)-;1-Methoxy-2-methyl-propan-2-amine;1-Methoxy-2-amino-2-methylpropane; |
| Density: | 0.851 g/cm3 |
| Boiling Point: | 119.7 °C at 760 mmHg |
| Flash Point: | 23.2 °C |
| PSA: | 35.25000 |
| LogP: | 1.07040 |
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Specification
The Isopropylamine, 1-methoxy-2-methyl- with CAS registry number of 20719-68-0 is also known as tert-Butylamine, 1-methoxy-. The IUPAC name is 1-Methoxy-2-methylpropan-2-amine. In addition, the formula is C5H13NO and the molecular weight is 103.16.
Physical properties about Isopropylamine, 1-methoxy-2-methyl- are: (1)ACD/LogP: 0.04; (2)ACD/LogD (pH 5.5): -2.86; (3)ACD/LogD (pH 7.4): -1.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.416; (12)Molar Refractivity: 30.45 cm3; (13)Molar Volume: 121.1 cm3; (14)Surface Tension: 26.4 dyne/cm; (15)Density: 0.851 g/cm3; (16)Flash Point: 23.2 °C; (17)Enthalpy of Vaporization: 35.79 kJ/mol; (18)Boiling Point: 119.7 °C at 760 mmHg; (19)Vapour Pressure: 15.8 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(COC)N
2. InChI: InChI=1S/C5H13NO/c1-5(2,6)4-7-3/h4,6H2,1-3H3
3. InChIKey: CMZQPQQRGBOLHN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. AD691-490, |