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(2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine

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Name

(2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine

EINECS N/A
CAS No. 200267-75-0 Density 1.029 g/cm3
PSA 29.26000 LogP 2.29040
Solubility N/A Melting Point N/A
Formula C13H20N2 Boiling Point 332.422 °C at 760 mmHg
Molecular Weight 204.315 Flash Point 139.727 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 200267-75-0 ((S)-2-PHENYL-1-PYRROLIDIN-1-YLMETHYL-ETHYLAMINE) Hazard Symbols C
Synonyms

1-Pyrrolidineethanamine, α-(phenylmethyl)-, (S)-;

Article Data 7

(2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine Specification

The (2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine, with the CAS registry number 200267-75-0, is also known as 1-Pyrrolidineethanamine, α-(phenylmethyl)-, (S)-. This chemical's molecular formula is C13H20N2 and molecular weight is 204.31. What's more, its systematic name is (2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine.

Physical properties of (2S)-1-Phenyl-3-(1-pyrrolidinyl)-2-propanamine are: (1)ACD/LogP: 2.711; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.24; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.26 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 63.954 cm3; (15)Molar Volume: 198.613 cm3; (16)Polarizability: 25.353×10-24cm3; (17)Surface Tension: 43.0 dyne/cm; (18)Density: 1.029 g/cm3; (19)Flash Point: 139.727 °C; (20)Enthalpy of Vaporization: 57.519 kJ/mol; (21)Boiling Point: 332.422 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N[C@@H](Cc1ccccc1)CN2CCCC2
(2)Std. InChI: InChI=1S/C13H20N2/c14-13(11-15-8-4-5-9-15)10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11,14H2/t13-/m0/s1
(3)Std. InChIKey: YDLCAQYNXGDYTM-ZDUSSCGKSA-N

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