| CAS Number | 91552-71-5 |
| Catalog Number | AG00IGRB(AGN-PC-0WA3TF) |
| Chemical Name | 1-(4-tert-Butylphenyl)ethanamine HCl |
| IUPAC Name | 1-(4-tert-butylphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C12H19N.ClH/c1-9(13)10-5-7-11(8-6-10)12(2,3)4;/h5-9H,13H2,1-4H3;1H |
| InChI Key | WQCMEXXHUOHNLP-UHFFFAOYSA-N |
| MDL Number | MFCD09759190 |
| Molecular Formula | C12H20ClN |
| Molecular Weight | 213.7469 |
| SMILES | CC(N)C1=CC=C(C(C)(C)C)C=C1.[H]Cl |
| Synonyms | 1-(4-tert-Butylphenyl)ethanamine HCl,
91552-71-5,
C12H19N.HCl,
KM3030,
V9099,
(S)-1-(4-(TERT-BUTYL)PHENYL)ETHAN-1-AMINE HCL,
1-(4-TERT-BUTYL-PHENYL)-ETHYLAMINE, HYDROCHLORIDE,
1415303-39-7,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.749g/mol |
| Monoisotopic Mass | 213.128g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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