| CAS Number | 914349-63-6 |
| Catalog Number | AG00GV1R(AGN-PC-07A1G5) |
| Chemical Name | 4-(4-[Bis(4-fluorophenyl)methyl]piperazin-1-ylmethyl)phenylamine |
| IUPAC Name | 4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]aniline |
| InChI | InChI=1S/C24H25F2N3/c25-21-7-3-19(4-8-21)24(20-5-9-22(26)10-6-20)29-15-13-28(14-16-29)17-18-1-11-23(27)12-2-18/h1-12,24H,13-17,27H2 |
| InChI Key | MCHJHYOGYPFAMJ-UHFFFAOYSA-N |
| MDL Number | MFCD06797792 |
| Molecular Formula | C24H25F2N3 |
| Molecular Weight | 393.4722 |
| SMILES | FC1C=CC(=CC=1)C(C1C=CC(=CC=1)F)N1CCN(CC2C=CC(=CC=2)N)CC1 |
| Synonyms | 914349-63-6,
4-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-ylmethyl}phenylamine,
4-((4-(Bis(4-fluorophenyl)methyl)piperazin-1-yl)methyl)aniline,
4-({4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}methyl)aniline,
4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YLMETHYL)PHENYLAMINE,
CTK7D7449,
DTXSID70661708,
C24H25F2N3,
ANW-51280,
ZINC22465239,
AKOS015853529,
AJ-81392,
BR-21737,
AX8159497,
DB-001570,
TR-028806,
FT-0754452,
ST24028713,
W9459,
S-3243,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.202g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.482g/mol |
| Monoisotopic Mass | 393.202g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number