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| CAS No.: | 102065-86-1 |
|---|---|
| Name: | 3-AMINOAZETIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C3H8N2.2(HCl) |
| Molecular Weight: | 72.1099 |
| Synonyms: | Azetidin-3-amine dihydrochloride;3-Aminoazetidine 2HCl; |
| Density: | 0.966±0.06 g/cm3(Predicted) |
| Boiling Point: | 198.8 °C at 760 mmHg |
| Flash Point: | 74 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 38.05000 |
| LogP: | -0.05400 |
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Specification
The IUPAC name of 3-Azetidinamine is azetidin-3-amine dihydrochloride. With the CAS registry number 102065-86-1, it is also named as Azetidin-3-amine dihydrochloride. The product's category is Pharmacetical. In addition, its molecular formula is C3H8N2.2(HCl) and its molecular weight is 145.031.
The other characteristics of 3-Azetidinamine can be summarized as: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.05 Å2; (10)Flash Point: 74 °C; (11)Enthalpy of Vaporization: 44.39 kJ/mol; (12)Boiling Point: 198.8 °C at 760 mmHg; (13)Vapour Pressure: 0.297 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.NC1CNC1
(2)InChI: InChI=1/C3H8N2.2ClH/c4-3-1-5-2-3;;/h3,5H,1-2,4H2;2*1H
(3)InChIKey: OOSDLMAZIRAMDN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C3H8N2.2ClH/c4-3-1-5-2-3;;/h3,5H,1-2,4H2;2*1H
(5)Std. InChIKey: OOSDLMAZIRAMDN-UHFFFAOYSA-N