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640-02-8

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Basic Information
CAS No.: 640-02-8
Name: 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)-
Molecular Structure:
Molecular Structure of 640-02-8 (1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)-)
Formula: C14H21N5
Molecular Weight: 259.35
Synonyms: 6,6-Dimethyl-1-(3-phenylpropyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine;
Density: 1.18 g/cm3
Boiling Point: 412.9 °C at 760 mmHg
Flash Point: 203.5 °C
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  • 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)-

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    640-02-8

    1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)-

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Specification

The CAS registry number of 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)- is 640-02-8. This chemical's molecular formula is C14H21N5 and molecular weight is 259.35. What's more, its systematic name is called 6,6-Dimethyl-1-(3-phenylpropyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine.

Physical properties about 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-(3-phenylpropyl)- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.12; (6)ACD/KOC (pH 7.4): 1.13; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 34.44 Å2; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 76.02 cm3; (13)Molar Volume: 218.3 cm3; (14)Surface Tension: 47.4 dyne/cm; (15)Density: 1.18 g/cm3; (16)Flash Point: 203.5 °C; (17)Enthalpy of Vaporization: 66.56 kJ/mol; (18)Boiling Point: 412.9 °C at 760 mmHg; (19)Vapour Pressure: 5.01E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N\2=C(/N)N(CCCc1ccccc1)C(/N=C/2N)(C)C
(2) InChI: InChI=1/C14H21N5/c1-14(2)18-12(15)17-13(16)19(14)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H4,15,16,17,18)
(3) InChIKey: LGTCEMHLJHTOGU-UHFFFAOYAQ