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CAS No.: | 206274-24-0 |
---|---|
Name: | 1-N-BOC-4-(4-PYRIDYLMETHYLAMINO)PIPERIDINE |
Molecular Structure: | |
Formula: | C16H25N3O2 |
Molecular Weight: | 291.39 |
Synonyms: | tert-Butyl 4-[(pyridin-4-ylmethyl)amino]piperidine-1-carboxylate;1-Boc-4-N-(Pyridin-4-ylmethyl)-amino-piperidine;4-[(Pyridin-4-ylmethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester; |
Density: | 1.1 g/cm3 |
Melting Point: | 70-73 °C |
Boiling Point: | 418.6 °C at 760 mmHg |
Flash Point: | 207 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 54.46000 |
LogP: | 2.89950 |
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The CAS register number of 1-Piperidinecarboxylicacid, 4-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester is 206274-24-0. It also can be called as 4-[(Pyridin-4-ylmethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester and the systematic name about this chemical is tert-butyl 4-[(pyridin-4-ylmethyl)amino]piperidine-1-carboxylate. The molecular formula about this chemical is C16H25N3O2 and the molecular weight is 291.39.
Physical properties about 1-Piperidinecarboxylicacid, 4-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): -0.42; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.69; (6)ACD/KOC (pH 5.5): 2.17; (7)ACD/KOC (pH 7.4): 76.08; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 45.67Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 82.81 cm3; (14)Molar Volume: 262.8 cm3; (15)Polarizability: 32.83x10-24cm3; (16)Surface Tension: 46 dyne/cm; (17)Enthalpy of Vaporization: 67.22 kJ/mol; (18)Boiling Point: 418.6 °C at 760 mmHg; (19)Vapour Pressure: 3.23E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(NCc1ccncc1)CC2
(2)InChI: InChI=1/C16H25N3O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3
(3)InChIKey: KVEICFWHRVQJAL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3
(5)Std. InChIKey: KVEICFWHRVQJAL-UHFFFAOYSA-N