| CAS Number | 1118787-00-0 |
| Catalog Number | AG019UL7(AGN-PC-05TQKD) |
| Chemical Name | 2-([(2-Chlorophenyl)methyl]amino)propan-1-ol |
| IUPAC Name | 2-[(2-chlorophenyl)methylamino]propan-1-ol |
| InChI | InChI=1S/C10H14ClNO/c1-8(7-13)12-6-9-4-2-3-5-10(9)11/h2-5,8,12-13H,6-7H2,1H3 |
| InChI Key | YEZLLBZQPKTYAA-UHFFFAOYSA-N |
| MDL Number | MFCD11840121 |
| Molecular Formula | C10H14ClNO |
| Molecular Weight | 199.6773 |
| SMILES | CC(NCC1=C(Cl)C=CC=C1)CO |
| Synonyms | 2-{[(2-chlorophenyl)methyl]amino}propan-1-ol,
1118787-00-0,
AC1Q2B3M,
CTK8A1812,
AKOS009531501,
MCULE-3526122033,
NE55454,
EN300-42015,
AB01002298-01,
J-002652,
Z426041558,
2-([(2-chlorophenyl)methyl]amino)propan-1-ol,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.678g/mol |
| Monoisotopic Mass | 199.076g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number