Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(R)-N-Boc-azetidine-2-carboxylic acid |
EINECS | N/A |
CAS No. | 228857-58-7 | Density | 1.246 g/cm3 |
PSA | 66.84000 | LogP | 1.01830 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H15NO4 | Boiling Point | 320.999 °C at 760 mmHg |
Molecular Weight | 201.222 | Flash Point | 147.935 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-N-tert-Butoxycarbonylazetidine-2-carboxylicacid; |
Article Data | 8 |
The 1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- is an organic compound with the formula C9H15NO4. The systematic name of this chemical is (2R)-1-(tert-butoxycarbonyl)azetidine-2-carboxylic acid. With the CAS registry number 228857-58-7, it is also named as (R)-N-Boc-azetidine carboxylic acid.
Physical properties about 1,2-Azetidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2R)- are: (1)ACD/LogP: 0.29; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -2.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.09; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 48.32 cm3; (14)Molar Volume: 161.4 cm3; (15)Polarizability: 19.15×10-24cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 147.9 °C; (19)Enthalpy of Vaporization: 61.87 kJ/mol; (20)Boiling Point: 321 °C at 760 mmHg; (21)Vapour Pressure: 6.35E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](C(=O)O)CC1
(2)InChI: InChI=1/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
(3)InChIKey: JWJVSDZKYYXDDN-ZCFIWIBFBB
(4)Std. InChI: InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m1/s1
(5)Std. InChIKey: JWJVSDZKYYXDDN-ZCFIWIBFSA-N