| CAS Number | 1096317-29-1 |
| Catalog Number | AG01A28M |
| Chemical Name | [1-(4-tert-butylphenyl)cyclopentyl]methanamine |
| IUPAC Name | [1-(4-tert-butylphenyl)cyclopentyl]methanamine |
| InChI | InChI=1S/C16H25N/c1-15(2,3)13-6-8-14(9-7-13)16(12-17)10-4-5-11-16/h6-9H,4-5,10-12,17H2,1-3H3 |
| InChI Key | LXUQWFWHUAKETK-UHFFFAOYSA-N |
| MDL Number | MFCD11898956 |
| Molecular Formula | C16H25N |
| Molecular Weight | 231.3764 |
| SMILES | CC(C1=CC=C(C2(CCCC2)CN)C=C1)(C)C |
| Synonyms | [1-(4-tert-butylphenyl)cyclopentyl]methanamine,
1096317-29-1,
ZINC33487083,
AKOS005831494,
MCULE-5004114295,
NE22813,
SY146150,
MFCD11898956 (95%),
1-[4-(tert-Butyl)phenyl]cyclopentanemethanamine,
Z1507502058,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.383g/mol |
| Monoisotopic Mass | 231.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number