| CAS Number | 93759-30-9 |
| Catalog Number | AG01AGSD(AGN-PC-0WOAHY) |
| Chemical Name | [1-(3-Methoxyphenyl)cyclopentyl]methanamine |
| IUPAC Name | [1-(3-methoxyphenyl)cyclopentyl]methanamine |
| InChI | InChI=1S/C13H19NO/c1-15-12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3 |
| InChI Key | BGSIHODNNABVJG-UHFFFAOYSA-N |
| MDL Number | MFCD11898958 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | COC1=CC(C2(CCCC2)CN)=CC=C1 |
| Synonyms | [1-(3-methoxyphenyl)cyclopentyl]methanamine,
93759-30-9,
1-(3-Methoxyphenyl)cyclopentanemethanamine,
AC1Q47ST,
SCHEMBL7896140,
ZINC33487085,
AKOS010512207,
MCULE-1560836494,
NE15352,
SY191819,
EN300-72690,
MFCD11898958 (95%),
Z1266823273,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number