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1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-methyl-, 1,1-dimethylethyl ester (194032-42-3)

Identification
Name:1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-methyl-, 1,1-dimethylethyl ester
Synonyms:tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate;
CAS:194032-42-3
Molecular Formula: C11H22N2O2
Molecular Weight: 214.3
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
Molecular Structure: (C11H22N2O2) tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate;
Properties
Density:0.98
Refractive index:1.456
Specification:

The tetrt-Butyl 5-methyl-1,4-diazepane-1-carboxylate with the cas number 194032-42-3 is also called 1H-1,4-Diazepine-1-carboxylicacid, hexahydro-5-methyl-, 1,1-dimethylethyl ester. Its molecular formula is C11H22N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical 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

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