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459868-73-6

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Basic Information
CAS No.: 459868-73-6
Name: (R)-5-(2-aminopropyl)-1-(3-benzyloxypropyl) indoline-7-carbonitrile
Article Data: 1
Molecular Structure:
Molecular Structure of 459868-73-6 ((R)-5-(2-aminopropyl)-1-(3-benzyloxypropyl) indoline-7-carbonitrile)
Formula: C22H27N3O
Molecular Weight: 349.476
Synonyms: (R)-5-(2-Aminopropyl)-1-(3-Benzyloxypropyl) Indoline-7-Carbonitrile
Density: 1.15 g/cm3
Boiling Point: 539.31 °C at 760 mmHg
Flash Point: 279.965 °C
PSA: 62.28000
LogP: 4.18268
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Specification

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