Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-[(2R)-2-Aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1H-indole-7-carbonitrile |
EINECS | N/A |
CAS No. | 459868-73-6 | Density | 1.15 g/cm3 |
PSA | 62.28000 | LogP | 4.18268 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H27N3O | Boiling Point | 539.31 °C at 760 mmHg |
Molecular Weight | 349.476 | Flash Point | 279.965 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-5-(2-Aminopropyl)-1-(3-Benzyloxypropyl) Indoline-7-Carbonitrile |
Article Data | 1 |
The cas register number of 5-[(2R)-2-Aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1H-indole-7-carbonitrile is 459868-73-6. The Systematic name about this chemical is 5-[(2R)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile.
Physical properties about 5-[(2R)-2-Aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1H-indole-7-carbonitrile are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 62.28Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 104.875 cm3; (13)Molar Volume: 303.781 cm3; (14)Polarizability: 41.576x10-24cm3; (15)Surface Tension: 54.937 dyne/cm; (16)Enthalpy of Vaporization: 81.668 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(cc2c1N(CC2)CCCOCc3ccccc3)C[C@H](N)C
(2)InChI: InChI=1/C22H27N3O/c1-17(24)12-19-13-20-8-10-25(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14,17H,5,8-12,16,24H2,1H3/t17-/m1/s1
(3)InChIKey: XYFDLYCEXANTHE-QGZVFWFLBX
(4)Std. InChI: InChI=1S/C22H27N3O/c1-17(24)12-19-13-20-8-10-25(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14,17H,5,8-12,16,24H2,1H3/t17-/m1/s1
(5)Std. InChIKey: XYFDLYCEXANTHE-QGZVFWFLSA-N