CAS No.127199-44-4,Carbamic acid, (7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127199-44-4
Name:	Carbamic acid, (7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI)
Article Data:	2

Formula:	C₁₁H₂₀N₂O₂
Molecular Weight:	212.292
Synonyms:	Carbamicacid, 5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, (R)-;
Density:	1.099g/cm³
Boiling Point:	329.029 °C at 760 mmHg
Flash Point:	152.791 °C
PSA:	53.85000
LogP:	1.79630

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Specification

The Carbamic acid,(7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI), with CAS registry number 127199-44-4, belongs to the following product category: N-BOC. It has the systematic name of tert-butyl (7R)-5-azaspiro[2.4]hept-7-ylcarbamate. And the chemical formula of this chemical is C₁₁H₂₀N₂O₂.

Physical properties of Carbamic acid,(7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9CI): (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.36 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 58.043 cm³; (15)Molar Volume: 193.187 cm³; (16)Polarizability: 23.01×10^-24cm³; (17)Surface Tension: 39.433 dyne/cm; (18)Density: 1.099 g/cm³; (19)Flash Point: 152.791 °C; (20)Enthalpy of Vaporization: 57.147 kJ/mol; (21)Boiling Point: 329.029 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H]2CNCC12CC1
(2)InChI: InChI=1/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
(3)InChIKey: CGEBPOMWRHSMLI-QMMMGPOBBJ
(4)Std. InChI: InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
(5)Std. InChIKey: CGEBPOMWRHSMLI-QMMMGPOBSA-N