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Cas Database |
| Name |
1-Cbz-2-Piperidinecarboxaldehyde |
EINECS | N/A |
| CAS No. | 105706-76-1 | Density | 1.222 g/cm3 |
| PSA | 46.61000 | LogP | 2.31450 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H17NO3 | Boiling Point | 384.503 °C at 760 mmHg |
| Molecular Weight | 247.294 | Flash Point | 186.341 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Benzyloxycarbonylpiperidine-2-carboxaldehyde;N-Benzyloxycarbonyl-2-piperidinecarboxaldehyde; |
Article Data | 5 |
1-Cbz-2-Piperidinecarboxaldehyde Specification
The 1-Cbz-2-Piperidinecarboxaldehyde with the cas number 105706-76-1 is also called 1-Piperidinecarboxylicacid, 2-formyl-, phenylmethyl ester. The IUPAC name is benzyl 2-formylpiperidine-1-carboxylate. Its molecular formula is C14H17NO3.
Properties Computed from Structure: (1)XLogP3-AA 2 ; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Tautomer Count: 2; (6)Exact Mass: 247.120843; (7)MonoIsotopic Mass: 247.120843; (8)Topological Polar Surface Area: 46.6; (9)Heavy Atom Count: 18; (10)Formal Charge: 0; (11)Complexity: 287; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C(C1)C=O)C(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C14H17NO3/c16-10-13-8-4-5-9-15(13)14(17)18-11-12-6-2-1-3-7-12/
h1-3,6-7,10,13H,4-5,8-9,11H2
(3)InChIKey: DIFLGEVEAZQPMO-UHFFFAOYSA-N
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