| CAS Number | 160001-94-5 |
| Catalog Number | AG01A2DD |
| Chemical Name | 1-(4-Tert-butylphenyl)cyclopentan-1-amine |
| IUPAC Name | 1-(4-tert-butylphenyl)cyclopentan-1-amine |
| InChI | InChI=1S/C15H23N/c1-14(2,3)12-6-8-13(9-7-12)15(16)10-4-5-11-15/h6-9H,4-5,10-11,16H2,1-3H3 |
| InChI Key | PMTBIPCGTQPLGH-UHFFFAOYSA-N |
| MDL Number | MFCD11899007 |
| Molecular Formula | C15H23N |
| Molecular Weight | 217.3498 |
| SMILES | CC(C1=CC=C(C2(CCCC2)N)C=C1)(C)C |
| Synonyms | 1-(4-tert-butylphenyl)cyclopentan-1-amine,
160001-94-5,
1-[4-(tert-Butyl)phenyl]cyclopentanamine,
SCHEMBL8532597,
ZINC33487149,
AKOS009489531,
MCULE-3444346978,
NE34336,
SY145970,
MFCD11899007 (95%),
Z1511494444,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.18305g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.35g/mol |
| Monoisotopic Mass | 217.18305g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number