1-Boc-3-oxoazepane supplier | CasNO.870842-23-2

Name
N-BOC-3-AZA-HEPTAN-1-ONE
EINECS
CAS No. 870842-23-2
Article Data4
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₉NO₃
Boiling Point 308.2 °C at 760 mmHg
Molecular Weight 213.277
Flash Point 140.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-butyl 3-oxoazepane-1-carboxylate;1H-Azepine-1-carboxylic acid, hexahydro-3-oxo-, 1,1-dimethylethyl ester;
PSA 46.61000
LogP 1.91440

1-Boc-3-oxoazepane Specification

The 1-Boc-3-oxoazepane with the cas number 870842-23-2, is also called tert-butyl 3-oxoazepane-1-carboxylate.The chemical belongs to the following product categories: (1)Carbonyl Compounds; (2)Heterocycles.The properties of the chemical are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.93; (7)ACD/KOC (pH 5.5): 55.63; (8)ACD/KOC (pH 7.4): 55.63; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 56.18 cm³; (15)Molar Volume: 198.9 cm³; (16)Polarizability: 22.27×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 54.89 kJ/mol; (19)Vapour Pressure: 0.00069 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(=O)CCCC1
(2)InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3

Product Name

N-BOC-3-AZA-HEPTAN-1-ONE

1-Boc-3-oxoazepane Specification

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