Product Name

  • Name

    (1R,2S)-1-((2-HYDROXY-3,5-DI-TERT-BUTYL&

  • EINECS
  • CAS No. 275374-67-9
  • Article Data3
  • CAS DataBase
  • Density 1.109 g/cm3
  • Solubility
  • Melting Point 128-133 °C(lit.)
  • Formula C24H31NO2
  • Boiling Point 517.57 °C at 760 mmHg
  • Molecular Weight 365.51
  • Flash Point 266.817 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 275374-67-9 ((1R,2S)-1-((2-HYDROXY-3,5-DI-TERT-BUTYL&)
  • Hazard Symbols IrritantXi
  • Synonyms (1R,2S)-1-[(2-Hydroxy-3,5-di-tert-butylbenzylidene)amino]indan-2-ol;
  • PSA 52.82000
  • LogP 5.06440

(1R,2S)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol Specification

The (1R,2S)-1-[(3,5-Di-tert-butyl-2-hydroxybenzylidene)amino]-2-indanol is an organic compound with the formula C24H31NO2. The systematic name of this chemical is (6Z)-2,4-ditert-butyl-6-[[[(1R,2S)-2-hydroxyindan-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one. And the CAS registry number is 275374-67-9.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.369; (4)ACD/LogD (pH 7.4): 4.369; (5)ACD/BCF (pH 5.5): 1231.077; (6)ACD/BCF (pH 7.4): 1231.438; (7)ACD/KOC (pH 5.5): 5670.073; (8)ACD/KOC (pH 7.4): 5671.736; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 110.327 cm3; (14)Molar Volume: 329.572 cm3; (15)Polarizability: 43.737×10-24 cm3; (16)Surface Tension: 45.221 dyne/cm; (17)Enthalpy of Vaporization: 83.162 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1. SMILES: CC(C)(C)C1=C/C(=C/N[C@@H]2c3ccccc3C[C@@H]2O)/C(=O)C(=C1)C(C)(C)C;
2. InChI: InChI=1/C24H31NO2/c1-23(2,3)17-11-16(22(27)19(13-17)24(4,5)6)14-25-21-18-10-8-7-9-15(18)12-20(21)26/h7-11,13-14,20-21,25-26H,12H2,1-6H3/b16-14-/t20-,21+/m0/s1.

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