| CAS Number | 1207846-38-5 |
| Catalog Number | AG01DYHX |
| Chemical Name | 1-[3-(propan-2-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(3-propan-2-ylphenyl)ethanamine |
| InChI | InChI=1S/C11H17N/c1-8(2)10-5-4-6-11(7-10)9(3)12/h4-9H,12H2,1-3H3 |
| InChI Key | ORMTYHTVUJVAEE-UHFFFAOYSA-N |
| MDL Number | MFCD18706239 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CC(C1=CC(C(N)C)=CC=C1)C |
| Synonyms | 1-[3-(propan-2-yl)phenyl]ethan-1-amine,
1207846-38-5,
SCHEMBL14975715,
1-(3-Isopropyl-phenyl)-ethylamine,
AKOS013200981,
1-[3-(METHYLETHYL)PHENYL]ETHYLAMINE,
(1S)-1-[3-(METHYLETHYL)PHENYL]ETHYLAMINE,
A1-07383,
1213971-65-3,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.264g/mol |
| Monoisotopic Mass | 163.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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