| CAS Number | 1135064-72-0 |
| Catalog Number | AG019WO4 |
| Chemical Name | 3-{[(3,4-dichlorophenyl)methyl]amino}propan-1-ol hydrochloride |
| IUPAC Name | 3-[(3,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H13Cl2NO.ClH/c11-9-3-2-8(6-10(9)12)7-13-4-1-5-14;/h2-3,6,13-14H,1,4-5,7H2;1H |
| InChI Key | ONGJUKRMRIKCPB-UHFFFAOYSA-N |
| MDL Number | MFCD12913133 |
| Molecular Formula | C10H14Cl3NO |
| Molecular Weight | 270.5833 |
| NSC Number | 99655 |
| SMILES | Cl.OCCCNCC1=CC(Cl)=C(Cl)C=C1 |
| Synonyms | 3-{[(3,4-dichlorophenyl)methyl]amino}propan-1-ol hydrochloride,
1135064-72-0,
AC1Q3F9J,
CTK8A4415,
NSC99655,
NSC-99655,
MCULE-4919006468,
NE15647,
EN300-52583,
Z802671598,
3-([(3,4-dichlorophenyl)methyl]amino)propan-1-ol hydrochloride,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.578g/mol |
| Monoisotopic Mass | 269.014g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number