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| CAS No.: | 107259-06-3 |
|---|---|
| Name: | tert-Butyl (1-formylcyclopropyl)carbamate |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C9H15NO3 |
| Molecular Weight: | 185.223 |
| Synonyms: | TERT-BUTYL (1-FORMYLCYCLOPROPYL)CARBAMATE;(1-Formyl-cyclopropyl)-carbamic acid tert-butyl ester;1-((pivaloyloxy)amino)cyclopropanecarbaldehyde;1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehyde;1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehyde (1-Formylcyclopropyl)carbamic acid tert-butyl ester |
| Density: | 1.102 g/cm3 |
| Melting Point: | 76.5-78.50℃ |
| Boiling Point: | 280.708 °C at 760 mmHg |
| Flash Point: | 123.568 °C |
| PSA: | 55.40000 |
| LogP: | 1.63350 |
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Specification
This chemical is called tert-Butyl (1-formylcyclopropyl)carbamate, and its CAS registry number is 107259-06-3. With the molecular formula of C9H15NO3, its molecular weight is 185.22.
Other characteristics of the tert-Butyl (1-formylcyclopropyl)carbamate can be summarised as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 59; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 47.538 cm3; (15)Molar Volume: 168.094 cm3; (16)Polarizability: 18.846×10-24cm3; (17)Surface Tension: 37.556 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 123.568 °C; (20)Enthalpy of Vaporization: 51.946 kJ/mol; (21)Boiling Point: 280.708 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=CC1(NC(=O)OC(C)(C)C)CC1
2.InChI: InChI=1/C9H15NO3/c1-8(2,3)13-7(12)10-9(6-11)4-5-9/h6H,4-5H2,1-3H3,(H,10,12)
3.InChIKey: ACMHCEYCNRURST-UHFFFAOYAS