Name: tert-Butyl 6-amino-1,4-oxazepane-4-carboxylate
SKU: 1170390-54-1

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Basic Information

Molecular Structure:
CAS No.:	1170390-54-1
Name:	tert-Butyl 6-amino-1,4-oxazepane-4-carboxylate

Formula:	C₁₀H₂₀N₂O₃
Molecular Weight:	216.2774
Synonyms:	tert-butyl 6-amino-1,4-oxazepane-4-carboxylate;
Density:	1.075g/cm³
Boiling Point:	307.6 °C at 760 mmHg
Flash Point:	139.8 °C
PSA:	64.79000
LogP:	1.21920

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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