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360074-85-7

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Basic Information
CAS No.: 360074-85-7
Name: methyl 2-amino-2-phenylhexanoate
Molecular Structure:
Molecular Structure of 360074-85-7 (methyl 2-amino-2-phenylhexanoate)
Formula: C13H19NO2
Molecular Weight: 221.29
Synonyms: Benzeneacetic acid, alpha-amino-alpha-butyl-, methyl ester;
Density: 1.04 g/cm3
Boiling Point: 306.6 °C at 760 mmHg
Flash Point: 160.9 °C
PSA: 52.32000
LogP: 2.90410
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Specification

The 2-Amino-2-phenylhexanoic acid methyl ester, with cas registry number 360074-85-7, belongs to the following product categories: Indanone & Indene. It has the systematic name of Benzeneacetic acid, alpha-amino-alpha-butyl-, methyl ester. And its IUPAC name is methyl 2-amino-2-phenylhexanoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 2.94; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 52.32 Å2; (9)Index of Refraction: 1.511; (10)Molar Refractivity: 63.84 cm3; (11)Molar Volume: 212.8 cm3; (12)Polarizability: 25.31×10-24cm3; (13)Surface Tension: 38 dyne/cm; (14)Enthalpy of Vaporization: 54.72 kJ/mol; (15)Vapour Pressure: 0.000762 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: NC(CCCC)(C(=O)OC)c1ccccc1
(2)InChI: InChI=1/C13H19NO2/c1-3-4-10-13(14,12(15)16-2)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3
(3)InChIKey: GTGCPCXBADEBNA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C13H19NO2/c1-3-4-10-13(14,12(15)16-2)11-8-6-5-7-9-11/h5-9H,3-4,10,14H2,1-2H3
(5)Std. InChIKey: GTGCPCXBADEBNA-UHFFFAOYSA-N