| CAS Number | 40896-62-6 |
| Catalog Number | AG00C9I5(AGN-PC-03H3XB) |
| Chemical Name | [3-(Aminomethyl)phenyl]methanol hydrochloride |
| IUPAC Name | [3-(aminomethyl)phenyl]methanol;hydrochloride |
| InChI | InChI=1S/C8H11NO.ClH/c9-5-7-2-1-3-8(4-7)6-10;/h1-4,10H,5-6,9H2;1H |
| InChI Key | KRUPXFKQZROJAK-UHFFFAOYSA-N |
| MDL Number | MFCD18071237 |
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.6400 |
| SMILES | C1=C(C=CC=C1CN)CO.Cl |
| Synonyms | (3-(Aminomethyl)phenyl)methanol hydrochloride,
40896-62-6,
[3-(Aminomethyl)phenyl]methanol hydrochloride,
AK138282,
SCHEMBL960901,
DTXSID00619318,
ZX-CM008267,
MFCD18071237,
AKOS022173780,
DS-5981,
AX8259885,
ST24034252,
[3-(aMinoMethyl)phenyl]Methanol hydrochloride (SALTDATA,
[3-(Aminomethyl)phenyl]methanol hydrochloride, AldrichCPR,
[3-(Aminomethyl)phenyl]methanol--hydrogen chloride (1/1),
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.64g/mol |
| Monoisotopic Mass | 173.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number