| CAS Number | 55096-89-4 |
| Catalog Number | AG00DAT5(AGN-PC-0L1G64) |
| Chemical Name | benzyl[(4-bromophenyl)methyl]amine |
| IUPAC Name | N-[(4-bromophenyl)methyl]-1-phenylmethanamine |
| InChI | InChI=1S/C14H14BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2 |
| InChI Key | QXBYDLUZMIWCRP-UHFFFAOYSA-N |
| MDL Number | MFCD02656614 |
| Molecular Formula | C14H14BrN |
| Molecular Weight | 276.1717 |
| SMILES | BrC1=CC=C(CNCC2=CC=CC=C2)C=C1 |
| Synonyms | N-benzyl-1-(4-bromophenyl)methanamine,
55096-89-4,
benzyl[(4-bromophenyl)methyl]amine,
CHEMBRDG-BB 5937785,
AC1MY5EW,
Benzyl(4-bromobenzyl)amine,
CTK5A3019,
DTXSID70397696,
ZINC2581646,
N-benzyl-(4-bromophenyl)methaneamine,
AKOS000227389,
MCULE-9240697797,
AJ-43041,
N-[(4-bromophenyl)methyl]-1-phenylmethanamine,
W-9602,
Z86130129,
CHEMBRDG-BB5937785,
CID3876431,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.177g/mol |
| Monoisotopic Mass | 275.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number