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