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| CAS No.: | 87791-62-6 |
|---|---|
| Name: | 2-Azetidinone,3-amino-4-methyl-,(3S,4S)-(9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H8N2O |
| Molecular Weight: | 100.06 |
| Synonyms: | 2-Azetidinone,3-amino-4-methyl-, (3S-trans)-;2-Azetidinone,3-amino-4-methyl-, (3S,4S)-; |
| Density: | 1.099 g/cm3 |
| Boiling Point: | 282.802 °C at 760 mmHg |
| Flash Point: | 124.834 °C |
| PSA: | 58.61000 |
| LogP: | -0.19180 |
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Specification
(3S,4S)-3-Amino-4-methyl-2-azetidinone is an organic compound with the formula C4H8N2O, and its systematic name is the same with the product name. With the CAS registry number 87791-62-6, it is also named as 2-Azetidinone,3-amino-4-methyl-, (3S,4S)-. It belongs to the product category of Variousamine. In addition, the molecular weight is 100.06.
Physical properties of (3S,4S)-3-Amino-4-methyl-2-azetidinone are: (1)ACD/LogP: -2.364; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -2.37; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.21; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.12 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 25.575 cm3; (15)Molar Volume: 91.071 cm3; (16)Polarizability: 10.139×10-24cm3; (17)Surface Tension: 33.82 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 124.834 °C; (20)Enthalpy of Vaporization: 52.168 kJ/mol; (21)Boiling Point: 282.802 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1[C@@H](C(=O)N1)N
(2)Std. InChI: InChI=1S/C4H8N2O/c1-2-3(5)4(7)6-2/h2-3H,5H2,1H3,(H,6,7)/t2-,3-/m0/s1
(3)Std. InChIKey: HEKIBZBEXRTFRP-HRFVKAFMSA-N