| CAS Number | 1344085-17-1 |
| Catalog Number | AG01BUQP |
| Chemical Name | 3-tert-butyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 3-tert-butyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C13H19N/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11/h4-7,11,14H,8-9H2,1-3H3 |
| InChI Key | PIIMDIGMTSIGDL-UHFFFAOYSA-N |
| MDL Number | MFCD18344595 |
| Molecular Formula | C13H19N |
| Molecular Weight | 189.2967 |
| SMILES | CC(C1CC2=C(C=CC=C2)NC1)(C)C |
| Synonyms | 3-tert-butyl-1,2,3,4-tetrahydroquinoline,
1344085-17-1,
SCHEMBL8931347,
AKOS012692215,
Z2687203834,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.302g/mol |
| Monoisotopic Mass | 189.152g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number