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Cas Database |
| Name |
1-Boc-4-cyanopiperidine |
EINECS | N/A |
| CAS No. | 91419-52-2 | Density | 1.07 g/cm3 |
| PSA | 53.33000 | LogP | 2.09498 |
| Solubility | N/A | Melting Point |
60-62 °C |
| Formula | C11H18N2O2 | Boiling Point | 325.3 °C at 760 mmHg |
| Molecular Weight | 210.276 | Flash Point | 150.5 °C |
| Transport Information | N/A | Appearance | yellowish oil |
| Safety | 36-36/37/39 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols | 20/21/22:; |
| Synonyms |
1,1-Dimethylethyl4-cyano-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)-4-cyanopiperidine;1-(tert-Butoxycarbonyl)piperidine-4-carbonitrile;4-Cyano-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;4-Cyanopiperidine-1-carboxylic acid tert-butyl ester;N-tert-Butoxycarbonyl-4-cyanopiperidine;N-tert-Butoxycarbonyl-4-piperidinecarbonitrile;tert-Butyl 4-cyanopiperidine-1-carboxylate; |
Article Data | 48 |
1-Boc-4-cyanopiperidine Chemical Properties
The molecular structure of 1-Boc-4-cyanopiperidine (CAS NO.91419-52-2):
IUPAC Name: tert-Butyl 4-cyanopiperidine-1-carboxylate
Molecular Weight: 210.27282 g/mol
Molecular Formula: C11H18N2O2
Density: 1.07 g/cm3
Melting Point: 60-62 °C
Boiling Point: 325.3 °C at 760 mmHg
Flash Point: 150.5 °C
Index of Refraction: 1.487
Molar Refractivity: 56.59 cm3
Molar Volume: 196.4 cm3
Surface Tension: 40.7 dyne/cm
Enthalpy of Vaporization: 56.74 kJ/mol
Vapour Pressure: 0.000232 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 210.136828
MonoIsotopic Mass: 210.136828
Topological Polar Surface Area: 53.3
Heavy Atom Count: 15
Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C#N
InChI: InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKey: UQADQTBQNVARAP-UHFFFAOYSA-N
Product Categories: Boron, Nitrile, Thio,& TM-Cpds; Heterocycles; pharmacetical; Pyrans, Piperidines &Piperazines; Piperidine; Piperazine; Aromatics; Pyrans, Piperidines & Piperazines; Heterocyclic Building Blocks
1-Boc-4-cyanopiperidine Safety Profile
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36-36/37/39
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3439
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
1-Boc-4-cyanopiperidine Specification
1-Boc-4-cyanopiperidine (CAS NO.91419-52-2) is also named as 1-Piperidinecarboxylic acid, 4-cyano-, 1,1-dimethylethyl ester ; 2-Methyl-2-propanyl 4-cyano-1-piperidinecarboxylate ; tert-Butyl 4-cyanopiperidine-1-carboxylate ; 1-Boc-piperidine-4-carbonitrile ; 1-N-Boc-4-cyanopiperidine ; 1-N-Boc-4-cyano-piperidine ; 4-Cyano-piperidine-1-carboxylic acid tert-butyl ester . 1-Boc-4-cyanopiperidine (CAS NO.91419-52-2) is yellowish oil.
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