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Name |
1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)- |
EINECS | N/A |
CAS No. | 321744-26-7 | Density | 1.182 g/cm3 |
PSA | 76.07000 | LogP | 0.85770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H21NO5 | Boiling Point | 352.1 °C at 760 mmHg |
Molecular Weight | 259.302 | Flash Point | 166.8 °C |
Transport Information | N/A | Appearance | Colorless to amber viscous liquid or waxy mass |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate; |
Article Data | 5 |
The 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-, with the CAS registry number 321744-26-7, is also known as 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate. It belongs to the product category of API Intermediates. This chemical's molecular formula is C12H21NO5 and molecular weight is 259.3. Its IUPAC name is called 1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place at 4 °C.
Physical properties of 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.26; (5)ACD/BCF (pH 7.4): 1.26; (6)ACD/KOC (pH 5.5): 41.17; (7)ACD/KOC (pH 7.4): 41.17; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 63.98 cm3; (13)Molar Volume: 219.2 cm3; (14)Surface Tension: 44.9 dyne/cm; (15)Density: 1.182 g/cm3; (16)Flash Point: 166.8 °C; (17)Enthalpy of Vaporization: 69.12 kJ/mol; (18)Boiling Point: 352.1 °C at 760 mmHg; (19)Vapour Pressure: 2.3E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C[C@@H]1C(=O)OC)O
(3)InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
(4)InChIKey: RNMVWSAJMIKMDY-DTWKUNHWSA-N