| CAS Number | 864266-60-4 |
| Catalog Number | AG00IE27(AGN-PC-0WO8T2) |
| Chemical Name | [4-(cyclopentyloxy)phenyl]methanamine |
| IUPAC Name | (4-cyclopentyloxyphenyl)methanamine |
| InChI | InChI=1S/C12H17NO/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-8,11H,1-4,9,13H2 |
| InChI Key | RGJQWOYBWZMZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD09733523 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | NCC1=CC=C(OC2CCCC2)C=C1 |
| Synonyms | 4-(Cyclopentyloxy)benzylamine,
864266-60-4,
[4-(Cyclopentyloxy)phenyl]methanamine,
4-Cyclopentyloxy-benzylamine,
SCHEMBL508364,
CTK7E4912,
RGJQWOYBWZMZKZ-UHFFFAOYSA-N,
ZINC9245901,
MFCD09733523,
AKOS000139793,
MCULE-4828675110,
Benzenemethanamine, 4-(cyclopentyloxy)-,
1-[4-(CYCLOPENTYLOXY)PHENYL]METHANAMINE,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number