| CAS Number | 927993-53-1 |
| Catalog Number | AG00VWQH(AGN-PC-0WBL2E) |
| Chemical Name | [1-(2-methoxyphenyl)cyclopentyl]methanamine |
| IUPAC Name | [1-(2-methoxyphenyl)cyclopentyl]methanamine |
| InChI | InChI=1S/C13H19NO/c1-15-12-7-3-2-6-11(12)13(10-14)8-4-5-9-13/h2-3,6-7H,4-5,8-10,14H2,1H3 |
| InChI Key | SDHQESURORPKBB-UHFFFAOYSA-N |
| MDL Number | MFCD09261728 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | NCC1(C2=CC=CC=C2OC)CCCC1 |
| Synonyms | [1-(2-methoxyphenyl)cyclopentyl]methanamine,
927993-53-1,
1-(2-Methoxyphenyl)cyclopentanemethanamine,
ZINC11848931,
AKOS002671557,
MCULE-7376919736,
NE17997,
SY174060,
Cyclopentanemethanamine, 1-(2-methoxyphenyl)-,
EN300-53274,
MFCD09261728 (95%),
AC1Q450I,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.146664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.3g/mol |
| Monoisotopic Mass | 205.146664g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number