| CAS Number | 1016812-00-2 |
| Catalog Number | AG019UWO |
| Chemical Name | [1-(2-bromophenyl)ethyl](propyl)amine |
| IUPAC Name | N-[1-(2-bromophenyl)ethyl]propan-1-amine |
| InChI | InChI=1S/C11H16BrN/c1-3-8-13-9(2)10-6-4-5-7-11(10)12/h4-7,9,13H,3,8H2,1-2H3 |
| InChI Key | AWTQICLZELKBIH-UHFFFAOYSA-N |
| MDL Number | MFCD09935872 |
| Molecular Formula | C11H16BrN |
| Molecular Weight | 242.1554 |
| SMILES | CCCNC(C1=C(Br)C=CC=C1)C |
| Synonyms | [1-(2-bromophenyl)ethyl](propyl)amine,
1016812-00-2,
AC1Q2Y3B,
CTK8F2309,
AKOS000177887,
AKOS016904190,
MCULE-1341702459,
NE14639,
EN300-43059,
Z1187937598,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.16g/mol |
| Monoisotopic Mass | 241.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number