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CAS No.: | 404844-11-7 |
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Name: | 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C24H20ClN5O |
Molecular Weight: | 429.909 |
Synonyms: | 2-Methyl-5-[[4-(chloromethyl)benzoyl]amino]-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine;N-[5-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine;Benzamide,4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-; |
EINECS: | 1312995-182-4 |
Density: | 1.33 g/cm3 |
Melting Point: | 300 °C (dec) |
Appearance: | Off-white solid |
PSA: | 79.80000 |
LogP: | 5.72770 |
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Systematic Name: 4-(Chloromethyl)-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
SMILES: ClCc1ccc(cc1)C(=O)Nc2cc(c(cc2)C)Nc3nc(ccn3)c4cccnc4
InChI: InChI=1/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
InChIKey: WUGWDFMSJPJUEZ-UHFFFAOYAP
Molecular Formula C24H20ClN5O
Molecular Weight 429.90
Product Categories: Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 5
Index of Refraction: 1.691
Molar Refractivity: 123.659 cm3
Molar Volume: 323.271 cm3
Surface Tension: 62.498 dyne/cm
Density: 1.33 g/cm3
Appearance: Off-White Solid
Melting Point of 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide (CAS NO.404844-11-7): 300 °C (dec)
4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide (CAS NO.404844-11-7), its Synonyms are N-[5-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine ; 2-Methyl-5-[[4-(chloromethyl)benzoyl]amino]-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine ; Benzamide,4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- .