Product Name

  • Name

    (S)-Daipen

  • EINECS
  • CAS No. 148369-91-9
  • Article Data1
  • CAS DataBase
  • Density 1.077 g/cm3
  • Solubility
  • Melting Point 78-98 °C
  • Formula C19H26N2O2
  • Boiling Point 477.907 °C at 760 mmHg
  • Molecular Weight 314.428
  • Flash Point 251.359 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39-39
  • Risk Codes 36/37/38-41-37/38
  • Molecular Structure Molecular Structure of 148369-91-9 ((S)-Daipen)
  • Hazard Symbols Xi
  • Synonyms 1,2-Butanediamine,1,1-bis(4-methoxyphenyl)-3-methyl-, (S)-;(S)-1,1-Bis(4-anisyl)-2-isopropylethylenediamine;(S)-1,1-Bis(p-anisyl)-3-methyl-1,2-diaminobutane;(S)-1,1-Bis(p-methoxyphenyl)-3-methyl-1,2-butanediamine;(S)-1-Isopropyl-2,2-bis(p-methoxyphenyl)ethylenediamine;(S)-DAIPEN;
  • PSA 70.50000
  • LogP 4.29000

(S)-Daipen Specification

This chemical is called (S)-Daipen, and its systematic name is 1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine. With the molecular formula of C19H26N2O2, its molecular weight is 314.42. The CAS registry number of this chemical is 148369-91-9. In addition, this chemical should be stored at the temperature of 0-6°C.

Other characteristics of the (S)-Daipen can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 19; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 70.5 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 94.016 cm3; (14)Molar Volume: 291.832 cm3; (15)Polarizability: 37.271×10-24cm3; (16)Surface Tension: 40.348 dyne/cm; (17)Density: 1.077 g/cm3; (18)Flash Point: 251.359 °C; (19)Enthalpy of Vaporization: 74.191 kJ/mol; (20)Boiling Point: 477.907 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: COc1ccc(cc1)C(N)(c2ccc(OC)cc2)C(N)C(C)C
2.InChI: InChI=1/C19H26N2O2/c1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15/h5-13,18H,20-21H2,1-4H3
3.InChIKey: WDYGPMAMBXJESZ-UHFFFAOYAV

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