| CAS Number | 1017371-15-1 |
| Catalog Number | AG019MRV |
| Chemical Name | 3-amino-2-[(2-methylphenyl)methyl]propan-1-ol |
| IUPAC Name | 2-(aminomethyl)-3-(2-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C11H17NO/c1-9-4-2-3-5-11(9)6-10(7-12)8-13/h2-5,10,13H,6-8,12H2,1H3 |
| InChI Key | OOGVRAAJCDROMH-UHFFFAOYSA-N |
| MDL Number | MFCD09894876 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC1=C(CC(CO)CN)C=CC=C1 |
| Synonyms | 3-amino-2-[(2-methylphenyl)methyl]propan-1-ol,
3-amino-2-(2-methylbenzyl)propan-1-ol,
Z1695709276,
1017371-15-1,
AC1Q2EZ1,
CTK7E3160,
AKOS000160288,
AKOS016042326,
MCULE-8497899291,
NE45940,
EN300-37090,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number