Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | C | |
Synonyms |
1-Pyrrolidineethanamine, α-(phenylmethyl)-, (S)-; |
Article Data | 7 |
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