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| CAS No.: | 625470-88-4 |
|---|---|
| Name: | 1-BOC-NIPECOTIC ACID HYDRAZIDE |
| Molecular Structure: | |
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| Formula: | C11H21N3O3 |
| Molecular Weight: | 243.30 |
| Synonyms: | 3-Hydrazinolcarbonylpiperidine-1-carboxylic acid tert-butyl ester;1-Boc-piperidine-3-carboxylhydrazide; |
| Density: | 1.147 g/cm3 |
| Boiling Point: | 409.2 °C at 760 mmHg |
| Flash Point: | 201.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 84.66000 |
| LogP: | 1.65250 |
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Specification
The 1-Boc-piperidine-3-carboxylhydrazide is an organic compound with the formula C11H21N3O3. The systematic name of this chemical is tert-butyl 3-(hydrazinecarbonyl)piperidine-1-carboxylate. With the CAS registry number 625470-88-4, it is also named as 3-Hydrazinolcarbonylpiperidine-1-carboxylic acid tert-butyl ester. In addition, the molecular weight is 243.30.
The other characteristics of 1-Boc-piperidine-3-carboxylhydrazide can be summarized as: (1) # of Rule of 5 Violations: 0; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 84.66 Å2; (6)Index of Refraction: 1.507; (7)Molar Refractivity: 63.14 cm3; (8)Molar Volume: 211.9 cm3; (9)Polarizability: 25.03×10-24 cm3; (10)Surface Tension: 45.4 dyne/cm; (11)Density: 1.147 g/cm3; (12)Flash Point: 201.3 °C; (13)Enthalpy of Vaporization: 66.14 kJ/mol; (14)Boiling Point: 409.2 °C at 760 mmHg; (15)Vapour Pressure: 6.6E-07 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NN
2. InChI:InChI=1/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
3. InChIKey:DABYYYLRDBQJTK-UHFFFAOYAZ
4. Std. InChI:InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)9(15)13-12/h8H,4-7,12H2,1-3H3,(H,13,15)
5. Std. InChIKey:DABYYYLRDBQJTK-UHFFFAOYSA-N