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158144-82-2

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Basic Information
CAS No.: 158144-82-2
Name: 1-N-BOC-4-AMINOMETHYL-4-PHENYLPIPERIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 158144-82-2 (1-N-BOC-4-AMINOMETHYL-4-PHENYLPIPERIDINE)
Formula: C17H26N2O2
Molecular Weight: 290.406
Synonyms: 4-Aminomethyl-4-phenylpiperidin-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;1-N-Boc-4-aminomethyl-4-phenylpiperidine;
EINECS: 604-604-1
Density: 1.067 g/cm3
Melting Point: 64℃
Boiling Point: 402.698 °C at 760 mmHg
Flash Point: 197.345 °C
PSA: 55.56000
LogP: 3.55220
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Specification

The 1-Piperidinecarboxylicacid, 4-(aminomethyl)-4-phenyl-, 1,1-dimethylethyl ester, with the CAS registry number 158144-82-2, is also known as 1-N-Boc-4-aminomethyl-4-phenylpiperidine. This chemical's molecular formula is C17H26N2O2 and molecular weight is 290.4. What's more, its systematic name is tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 4-(aminomethyl)-4-phenyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 55.56 Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 84.018 cm3; (13)Molar Volume: 272.055 cm3; (14)Polarizability: 33.308×10-24cm3; (15)Surface Tension: 41.147 dyne/cm; (16)Density: 1.067 g/cm3; (17)Flash Point: 197.345 °C; (18)Enthalpy of Vaporization: 65.389 kJ/mol; (19)Boiling Point: 402.698 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCC(c1ccccc1)(CC2)CN
(2)InChI: InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
(3)InChIKey: BHMYNEIUXQIVTL-UHFFFAOYSA-N