| CAS Number | 807343-04-0 |
| Catalog Number | AG00GLHM(AGN-PC-04PNER) |
| Chemical Name | [(2-Bromophenyl)methyl](propyl)amine |
| IUPAC Name | N-[(2-bromophenyl)methyl]propan-1-amine |
| InChI | InChI=1S/C10H14BrN/c1-2-7-12-8-9-5-3-4-6-10(9)11/h3-6,12H,2,7-8H2,1H3 |
| InChI Key | KSMWUBSJLNWWPD-UHFFFAOYSA-N |
| MDL Number | MFCD09943267 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | CCCNCC1=C(Br)C=CC=C1 |
| Synonyms | 807343-04-0,
[(2-Bromophenyl)methyl](propyl)amine,
N-(2-Bromobenzyl)propan-1-amine,
KS-00001LDY,
MFCD09943267,
ZINC19502293,
AKOS000187438,
N-(2-BROMOPHENYLMETHYL)PROPYLAMINE,
N- PROPYLAMINE,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number