Product Name

  • Name

    1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile

  • EINECS 1308068-626-2
  • CAS No. 175837-01-1
  • Density 1.199 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H17N3O
  • Boiling Point 498.585 °C at 760 mmHg
  • Molecular Weight 243.308
  • Flash Point 255.335 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 175837-01-1 (1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile)
  • Hazard Symbols
  • Synonyms 1-acetyl-5-(2-aminopropyl)-2,3-dihydroindole-7-carbonitrile
  • PSA 70.12000
  • LogP 2.12228

1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile Specification

The 1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile is an organic compound with the formula C14H17N3O. With the CAS registry number 175837-01-1, the systematic name of this chemical is 1-acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile.

Physical properties about 1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile are: (1)ACD/LogP: 0.79; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 70.12 Å2; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 69.27 cm3; (12)Molar Volume: 202.9 cm3; (13)Polarizability: 27.46×10-24cm3; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.19 g/cm3; (16)Flash Point: 255.3 °C; (17)Enthalpy of Vaporization: 76.68 kJ/mol; (18)Boiling Point: 498.6 °C at 760 mmHg; (19)Vapour Pressure: 4.47E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)Cc1cc2CCN(c2c(c1)C#N)C(C)=O
(2)InChI: InChI=1/C14H17N3O/c1-9(16)5-11-6-12-3-4-17(10(2)18)14(12)13(7-11)8-15/h6-7,9H,3-5,16H2,1-2H3
(3)InChIKey: MCRFLQWSKTXBBS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H17N3O/c1-9(16)5-11-6-12-3-4-17(10(2)18)14(12)13(7-11)8-15/h6-7,9H,3-5,16H2,1-2H3
(5)Std. InChIKey: MCRFLQWSKTXBBS-UHFFFAOYSA-N

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