(R)-(+)-1-Phenylethylamine

Details:

1. Introduction of (R)-(+)-1-Phenylethylamine

The (R)-(+)-1-Phenylethylamine, with its CAS NO 3886-69-9, is a kind of Clourless liquid. It has synonyms of D-(+)-1-Phenylethylamine;D-1-Phenylethylamine;D-a-Phenethylamine;Benzenemethanamine,a-methyl-, (R)-;(+)-(R)-1-Phenethylamine;(+)-a-Methylbenzenemethanamine;(+)-a-Phenethylamine;(1R)-1-Phenyl-1-ethanamine;(1R)-1-Phenylethylamine;(1R)-Phenylethylamine;(R)-(+)-1-Phenylethylamine;(R)-Phenethylamine;(R)-a-Aminoethylbenzene;(R)-a-Methylbenzenemethanamine and (R)-a-Phenethylamine.
 

2. Properties of (R)-(+)-1-Phenylethylamine

(1) ACD/LogP: 1.718   (2) ACD/LogD (pH 5.5): -1.25  (3) ACD/LogD (pH 7.4): 0.08
(4) ACD/BCF (pH 5.5): 1.00  (5) ACD/BCF (pH 7.4): 1.00
(6) ACD/KOC (pH 5.5): 1.00  (7) ACD/KOC (pH 7.4): 4.75
(8) #H bond acceptors: 1  (9) #H bond donors: 2
(10) #Freely Rotating Bonds: 2  (11) Polar Surface Area: 26.02  2
(12) Index of Refraction: 1.533  (13) Molar Refractivity: 39.34 cm3
(14) Molar Volume: 126.677 cm3  (15) Polarizability: 15.596 10-24cm3
(16) Surface Tension: 36.5950012207031 dyne/cm  (17) Density: 0.957 g/cm3
(18) Flash Point: 75.803 °C   (19) Enthalpy of Vaporization: 41.925 kJ/mol
(20) Boiling Point: 183.007 °C at 760 mmHg   (21) Vapour Pressure: 0.787999987602234 mmHg at 25°C
 

3. Structure descriptors of (R)-(+)-1-Phenylethylamine

IUPAC Name: (1R)-1-phenylethanamine

InChI: InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1

InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N

Canonical SMILES : CC(C1=CC=CC=C1)NIsomeric SMILES: C[C@H](C1=CC=CC=C1)N