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6150-01-2

Basic Information
CAS No.: 6150-01-2
Name: (R)-1-Phenylbutylamine
Article Data: 21
Molecular Structure:
Molecular Structure of 6150-01-2 ((R)-1-Phenylbutylamine)
Formula: C10H15N
Molecular Weight: 149.236
Synonyms: Benzylamine,a-propyl-, (+)- (8CI);(+)-1-Phenylbutylamine;
Density: 0.934g/cm3
Boiling Point: 223.9 °C at 760 mmHg
Flash Point: 93.8 °C
Hazard Symbols: C
Risk Codes: 34-52/53
Safety: 26-36/37/39-45-61
PSA: 26.02000
LogP: 3.18680
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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