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934695-78-0

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Basic Information
CAS No.: 934695-78-0
Name: TERT-BUTYL N-BENZYL-N-(PIPERIDIN-4-YL)CARBAMATE
Article Data: 1
Molecular Structure:
Molecular Structure of 934695-78-0 (TERT-BUTYL N-BENZYL-N-(PIPERIDIN-4-YL)CARBAMATE)
Formula: C17H26N2O2
Molecular Weight: 290.406
Synonyms: tert-Butyl N-benzyl-N-(piperidin-4-yl)carbamate;tert-butyl N-benzyl-N-(4-piperidyl)carbamate;
Density: 1.076 g/cm3
Boiling Point: 405.413 °C at 760 mmHg
Flash Point: 198.987 °C
PSA: 41.57000
LogP: 3.50450
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Specification

The Carbamic acid, N-(phenylmethyl)-N-4-piperidinyl-,1,1-dimethylethyl ester, with the CAS registry number 934695-78-0, has the systematic name of tert-butyl N-benzyl-N-(4-piperidyl)carbamate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C17H26N2O2.

The characteristics of Carbamic acid, N-(phenylmethyl)-N-4-piperidinyl-,1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.364; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 41.57 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 85.02 cm3; (14)Molar Volume: 269.985 cm3; (15)Polarizability: 33.705×10-24cm3; (16)Surface Tension: 42.471 dyne/cm; (17)Density: 1.076 g/cm3; (18)Flash Point: 198.987 °C; (19)Enthalpy of Vaporization: 65.7 kJ/mol; (20)Boiling Point: 405.413 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N(Cc1ccccc1)C2CCNCC2
(2)InChI: InChI=1/C17H26N2O2/c1-17(2,3)21-16(20)19(15-9-11-18-12-10-15)13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
(3)InChIKey: VPTUTEIQMQFSBU-UHFFFAOYAH