| CAS Number | 50911-66-5 |
| Catalog Number | AG019X7J |
| Chemical Name | 1-(3-Aminopropoxy)-4-chloro-2-methylbenzene |
| IUPAC Name | 3-(4-chloro-2-methylphenoxy)propan-1-amine |
| InChI | InChI=1S/C10H14ClNO/c1-8-7-9(11)3-4-10(8)13-6-2-5-12/h3-4,7H,2,5-6,12H2,1H3 |
| InChI Key | QTKBNOAFNIFUMP-UHFFFAOYSA-N |
| MDL Number | MFCD09945014 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | CC1=C(OCCCN)C=CC(Cl)=C1 |
| Synonyms | 1-(3-aminopropoxy)-4-chloro-2-methylbenzene,
50911-66-5,
3-(4-chloro-2-methylphenoxy)propan-1-amine,
AC1Q2GE9,
CTK7E8503,
ZINC19505408,
AKOS000189514,
MCULE-2877941199,
NE14667,
EN300-54273,
Z818727390,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number