| CAS Number | 1269152-23-9 |
| Catalog Number | AG01AGRA |
| Chemical Name | 3-(1-(Methylamino)ethyl)phenol hydrochloride |
| IUPAC Name | 3-[1-(methylamino)ethyl]phenol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-7(10-2)8-4-3-5-9(11)6-8;/h3-7,10-11H,1-2H3;1H |
| InChI Key | NTSJPQGOUYZOGU-UHFFFAOYSA-N |
| MDL Number | MFCD18380629 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | OC1=CC=CC(C(NC)C)=C1.[H]Cl |
| Synonyms | 3-[1-(methylamino)ethyl]phenol hydrochloride,
1269152-23-9,
3-(1-(Methylamino)ethyl)phenol hydrochloride,
AC1Q3BP4,
SCHEMBL5799740,
AKOS008093423,
MCULE-8799113902,
NE27434,
EN300-72619,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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