Product Name

  • Name

    6-NITROISOCHROMAN

  • EINECS
  • CAS No. 444588-39-0
  • Article Data2
  • CAS DataBase
  • Density 1.151 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H9NO3
  • Boiling Point 313.817 °C at 760 mmHg
  • Molecular Weight 149.192
  • Flash Point 164.291 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 444588-39-0 (6-NITROISOCHROMAN)
  • Hazard Symbols
  • Synonyms 3,4-Dihydro-1H-isochromen-6-amine;1H-2-Benzopyran-6-amine,3,4-dihydro-(9CI);
  • PSA 35.25000
  • LogP 1.92270

1H-2-Benzopyran-6-amine,3,4-dihydro- Specification

The 1H-2-Benzopyran-6-amine,3,4-dihydro- has the CAS registry number 444588-39-0. It belongs to the product category of Amineprimary. This chemical's molecular formula is C9H9NO3 and molecular weight is 179.17. What's more, its systematic name is 3,4-dihydro-1H-isochromen-6-amine.

Physical properties of 1H-2-Benzopyran-6-amine,3,4-dihydro- are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 57; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 44.269 cm3; (15)Molar Volume: 129.586 cm3; (16)Polarizability: 17.549×10-24cm3; (17)Surface Tension: 49.623 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 164.291 °C; (20)Enthalpy of Vaporization: 55.493 kJ/mol; (21)Boiling Point: 313.817 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc2COCCc2c1
(2)InChI: InChI=1S/C9H11NO/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5H,3-4,6,10H2
(3)InChIKey: WWUNVOJMYCNULT-UHFFFAOYSA-N

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View