tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate supplier

Name
TETRT-BUTYL5-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE
EINECS
CAS No. 194032-42-3
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂O₂
Boiling Point 288.3 °C at 760 mmHg
Molecular Weight 214.308
Flash Point 128.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate;
PSA 41.57000
LogP 1.87200

tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate Specification

This chemical has the systematic name tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate. With the CAS number 194032-42-3, it is also called 1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-methyl-, 1,1-dimethylethyl ester. Its molecular formula is C₁₁H₂₂N₂O₂and itsmolecular weight is 214.30. It should be stored in dry and cool environment.

The properties of the tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate are: (1)ACD/LogP: 1.43; (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): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.456; (12)Molar Refractivity: 59.49 cm³; (13)Molar Volume: 218.4 cm³; (14)Polarizability: 23.58×10^-24cm³; (15)Surface Tension: 30.9 dyne/cm; (16)Enthalpy of Vaporization: 52.76 kJ/mol; (17)Vapour Pressure: 0.00235 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C)NCC1
(2)InChI: InChI=1/C11H22N2O2/c1-9-5-7-13(8-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
(3)InChIKey: SVMXIQUBNSPVCB-UHFFFAOYAQ

Product Name

TETRT-BUTYL5-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE

tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate Specification

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