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Name
4-(Hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-1-piperidinecarboxylic acid tert-butyl ester
- EINECS
- CAS No. 1092351-45-5
- Density 1.117 g/cm3
- Solubility
- Melting Point
- Formula C15H27N3O3
- Boiling Point 457 °C at 760 mmHg
- Molecular Weight 297.39
- Flash Point 230.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Y7012;4-(HEXAHYDRO-5-OXO-1H-1,4-DIAZEPIN-1-YL)-1-PIPERIDINECARBOXYLIC ACID TERT-BUTYL ESTER;
- PSA 61.88000
- LogP 1.41240
4-(Hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-1-piperidinecarboxylic acid tert-butyl ester Specification
The 4-(Hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-1-piperidinecarboxylic acid tert-butyl ester, with the CAS registry number of 1092351-45-5, is also known as 1-Piperidinecarboxylic acid, 4-(hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-, 1,1-dimethylethyl ester. This chemical's molecular formula is C15H27N3O3 and molecular weight is 297.39. What's more, its systematic name is called tert-Butyl 4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carboxylate.
Physical properties about the 4-(Hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-1-piperidinecarboxylic acid tert-butyl ester are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 61.88 Å2; (5)Index of Refraction: 1.509; (6)Molar Refractivity: 79.58 cm3; (7)Molar Volume: 266.1 cm3; (8)Surface Tension: 42 dyne/cm; (9)Density: 1.117 g/cm3; (10)Flash Point: 230.2 °C; (11)Enthalpy of Vaporization: 71.71 kJ/mol; (12)Boiling Point: 457 °C at 760 mmHg; (13)Vapour Pressure: 1.54E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:CC(C)(C)OC(=O)N1CCC(CC1)N2CCC(=O)NCC2
(2) InChI:InChI=1/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-12(5-9-18)17-10-6-13(19)16-7-11-17/h12H,4-11H2,1-3H3,(H,16,19)
(3) InChIKey:IBRBCYQKFAXUCD-UHFFFAOYAV
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