CAS No.148369-91-9,(S)-Daipen Suppliers

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Basic Information

Molecular Structure:
CAS No.:	148369-91-9
Name:	(S)-Daipen
Article Data:	1

Formula:	C₁₉H₂₆N₂O₂
Molecular Weight:	314.428
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;
Density:	1.077 g/cm³
Melting Point:	78-98 °C
Boiling Point:	477.907 °C at 760 mmHg
Flash Point:	251.359 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38-41-37/38
Safety:	26-36/37/39-39
PSA:	70.50000
LogP:	4.29000

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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