| CAS Number | 953899-64-4 |
| Catalog Number | AG019VUE |
| Chemical Name | 4-[4-(propan-2-yloxy)phenyl]butan-2-amine |
| IUPAC Name | 4-(4-propan-2-yloxyphenyl)butan-2-amine |
| InChI | InChI=1S/C13H21NO/c1-10(2)15-13-8-6-12(7-9-13)5-4-11(3)14/h6-11H,4-5,14H2,1-3H3 |
| InChI Key | KJAYQKCSZPBMRL-UHFFFAOYSA-N |
| MDL Number | MFCD09734176 |
| Molecular Formula | C13H21NO |
| Molecular Weight | 207.3119 |
| SMILES | CC(OC1=CC=C(CCC(N)C)C=C1)C |
| Synonyms | 4-[4-(propan-2-yloxy)phenyl]butan-2-amine,
953899-64-4,
AC1Q2BB8,
CTK6A7457,
AKOS000145192,
AKOS022421769,
MCULE-6075088851,
NE26225,
EN300-49536,
Z1695709236,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.317g/mol |
| Monoisotopic Mass | 207.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number