Specification: |
The (R)-1-Phenylbutylamine with cas registry number of 6150-01-2, has the systematic name of (1R)-1-phenylbutan-1-amine. And it is also named benzenemethanamine, alpha-propyl-, (alphaR)-.
Physical properties about this chemical are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.52; (8)Molar Refractivity: 48.6 cm3; (9)Molar Volume: 159.6 cm3; (10)Polarizability: 19.26×10-24cm3; (11)Surface Tension: 35.9 dyne/cm; (12)Enthalpy of Vaporization: 46.04 kJ/mol; (13)Vapour Pressure: 0.0938 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@@H](c1ccccc1)CCC;
(2)InChI: InChI=1/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3/t10-/m1/s1;
(3)InChIKey: XHOXKVFLASIOJD-SNVBAGLBBP;
(4)Std. InChI: InChI=1S/C10H15N/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6,11H2,1H3/t10-/m1/s1;
(5)Std. InChIKey: XHOXKVFLASIOJD-SNVBAGLBSA-N
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