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4-Boc-6-amino-1,4-oxazepane

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Name

4-Boc-6-amino-1,4-oxazepane

EINECS N/A
CAS No. 1170390-54-1 Density 1.075g/cm3
PSA 64.79000 LogP 1.21920
Solubility N/A Melting Point N/A
Formula C10H20N2O3 Boiling Point 307.6 °C at 760 mmHg
Molecular Weight 216.2774 Flash Point 139.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1170390-54-1 (tert-Butyl 6-amino-1,4-oxazepane-4-carboxylate) Hazard Symbols N/A
Synonyms

tert-butyl 6-amino-1,4-oxazepane-4-carboxylate;

 

4-Boc-6-amino-1,4-oxazepane Specification

The 4-Boc-6-amino-1,4-oxazepane, with CAS registry number 1170390-54-1, has the systematic name of tert-butyl 6-amino-1,4-oxazepane-4-carboxylate. Besides this, it is also called 1,4-oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester. And the chemical formula of this chemical is C10H20N2O3.

Physical properties of 4-Boc-6-amino-1,4-oxazepane: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 64.79 Å2; (6)Index of Refraction: 1.474; (7)Molar Refractivity: 56.59 cm3; (8)Molar Volume: 201 cm3; (9)Polarizability: 22.43×10-24cm3; (10)Surface Tension: 37.3 dyne/cm; (11)Density: 1.075 g/cm3; (12)Flash Point: 139.8 °C; (13)Enthalpy of Vaporization: 54.82 kJ/mol; (14)Boiling Point: 307.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000718 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCOCC(C1)N
(2)InChI: InChI=1/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12/h8H,4-7,11H2,1-3H3
(3)InChIKey: QIAURBVQLIUTQH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12/h8H,4-7,11H2,1-3H3
(5)Std. InChIKey: QIAURBVQLIUTQH-UHFFFAOYSA-N

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