| CAS Number | 503457-38-3 |
| Catalog Number | AG00DMYB(AGN-PC-035MFV) |
| Chemical Name | 1-(4-Amino-3-methoxyphenyl)pyrrolidin-3-OL |
| IUPAC Name | 1-(4-amino-3-methoxyphenyl)pyrrolidin-3-ol |
| InChI | InChI=1S/C11H16N2O2/c1-15-11-6-8(2-3-10(11)12)13-5-4-9(14)7-13/h2-3,6,9,14H,4-5,7,12H2,1H3 |
| InChI Key | ZRACRPDLDZUFIO-UHFFFAOYSA-N |
| MDL Number | MFCD11848940 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | COc1cc(ccc1N)N1CCC(C1)O |
| Synonyms | 503457-38-3,
1-(4-AMINO-3-METHOXYPHENYL)PYRROLIDIN-3-OL,
1-(4-AMINO-3-METHOXYPHENYL)-3-PYRROLIDINOL,
n-(4-amino-3-methoxyphenyl)-3-hydroxypyrrolidine,
SCHEMBL5406594,
MFCD11848940,
AKOS012987475,
K-9322,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number