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| CAS No.: | 21635-88-1 |
|---|---|
| Name: | 3-Oxetanamine |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C3H7NO |
| Molecular Weight: | 73.0947 |
| Synonyms: | (Oxetan-3-yl)amine;3-Aminooxetane; |
| Density: | 1.05 g/cm3 |
| Boiling Point: | 98.789 °C at 760 mmHg |
| Flash Point: | 24.211 °C |
| Solubility: | Slightly soluble in water |
| Hazard Symbols: | Xn |
| Risk Codes: | 10-22-41 |
| Safety: | 26-39 |
| PSA: | 35.25000 |
| LogP: | 0.04420 |
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Specification
The 3-Oxetanamine, with CAS registry number 21635-88-1, has the systematic name of oxetan-3-amine. And its IUPAC name is the same one. And the chemical formula of this chemical is C3H7NO.
Physical properties about this chemical are: (1)ACD/LogP: -1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 18.993 cm3; (13)Molar Volume: 69.593 cm3; (14)Polarizability: 7.53×10-24cm3; (15)Surface Tension: 39.627 dyne/cm; (16)Enthalpy of Vaporization: 33.819 kJ/mol; (17)Vapour Pressure: 39.364 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1C(CO1)N
(2)InChI: InChI=1/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
(3)InChIKey: OJEOJUQOECNDND-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
(5)Std. InChIKey: OJEOJUQOECNDND-UHFFFAOYSA-N