| CAS Number | 23299-18-5 |
| Catalog Number | AG002MTF(AGN-PC-0QZMVN) |
| Chemical Name | 1-(3-chlorophenyl)-2-(isopropylamino)ethanol |
| IUPAC Name | 1-(3-chlorophenyl)-2-(propan-2-ylamino)ethanol |
| InChI | InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-4-3-5-10(12)6-9/h3-6,8,11,13-14H,7H2,1-2H3 |
| InChI Key | WPRYXHDMUFXECU-UHFFFAOYSA-N |
| MDL Number | MFCD08060964 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | CC(C)NCC(O)C1=CC=CC(Cl)=C1 |
| Synonyms | 1-(3-CHLOROPHENYL)-2-(ISOPROPYLAMINO)ETHANOL,
23299-18-5,
MFCD08060964,
AC1Q1QBT,
SCHEMBL9640610,
CTK4F1260,
DTXSID40601272,
AKOS009463519,
MCULE-3914075388,
AS-30407,
ST085923,
1-(3-Chloro-Phenyl)-2-Isopropylamino-Ethanol,
J-015070,
1-(3-chlorophenyl)-2-[(methylethyl)amino]ethan-1-ol,
1-(3-Chlorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol,
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol, AldrichCPR,
Benzenemethanol,3-chloro-a-[[(1-methylethyl)amino]methyl]-,
3-CHLOROPHENYLMETHANESULFONYLCHLORIDE,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number