Name: 2-BENZYL-3-AMINOMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
SKU: 436867-72-0

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Basic Information

Molecular Structure:
CAS No.:	436867-72-0
Name:	2-BENZYL-3-AMINOMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Formula:	C₁₈H₂₆N₂O₄
Molecular Weight:	334.41
Synonyms:	2-Benzyl-3-aminomethyl-1,2,3,4-tetrahydro-isoquinoline;C-(2-Benzyl-1,2,3,4-tetrahydro-isoquinolin-3-yl)-methylamine;1-Benzyl-3-tert-butoxycarbonylaminopiperidine-3-carboxylic acid;
Density:	1.193 g/cm³
Boiling Point:	486.922 °C at 760 mmHg
Flash Point:	248.282 °C
PSA:	78.87000
LogP:	2.95930

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Specification

The 3-Piperidinecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, with the CAS registry number 436867-72-0, is also known as 2-Benzyl-3-aminomethyl-1,2,3,4-tetrahydro-isoquinoline. It belongs to the product categories of N-BOC; Indanone & Indene. This chemical's molecular formula is C₁₈H₂₆N₂O₄ and molecular weight is 334.41. What's more, its systematic name is 3-Piperidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-.

Physical properties of 3-Piperidinecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.53; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 78.87 Å²; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 91.33 cm³; (11)Molar Volume: 280.2 cm³; (12)Polarizability: 36.2×10^-24cm³; (13)Surface Tension: 51.2 dyne/cm; (14)Density: 1.19 g/cm³; (15)Flash Point: 248.3 °C; (16)Enthalpy of Vaporization: 79.28 kJ/mol; (17)Boiling Point: 486.9 °C at 760 mmHg; (18)Vapour Pressure: 2.7E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C2(CN(Cc1ccccc1)CCC2)NC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C18H26N2O4/c1-17(2,3)24-16(23)19-18(15(21)22)10-7-11-20(13-18)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,19,23)(H,21,22)
(3)InChIKey: BDMWQPJZSIGIBM-UHFFFAOYSA-N