| CAS Number | 852840-76-7 |
| Catalog Number | AG019O79 |
| Chemical Name | 2-{[(2,4-Dichlorophenyl)methyl]amino}butan-1-ol |
| IUPAC Name | 2-[(2,4-dichlorophenyl)methylamino]butan-1-ol |
| InChI | InChI=1S/C11H15Cl2NO/c1-2-10(7-15)14-6-8-3-4-9(12)5-11(8)13/h3-5,10,14-15H,2,6-7H2,1H3 |
| InChI Key | YFMRRLBEWOTNIY-UHFFFAOYSA-N |
| MDL Number | MFCD04478126 |
| Molecular Formula | C11H15Cl2NO |
| Molecular Weight | 248.1489 |
| SMILES | CCC(NCC1=C(Cl)C=C(Cl)C=C1)CO |
| Synonyms | 2-[(2,4-dichlorobenzyl)amino]butan-1-ol,
2-{[(2,4-dichlorophenyl)methyl]amino}butan-1-ol,
852840-76-7,
AC1N6RUN,
AC1Q2SHU,
2-[(2,4-dichlorophenyl)methylamino]butan-1-ol,
CTK6C9416,
STK147374,
AKOS001064288,
AKOS016881763,
MCULE-7718956165,
NE40019,
EN300-12981,
SR-01000067856,
SR-01000067856-1,
CID4264831,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.147g/mol |
| Monoisotopic Mass | 247.053g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number