| CAS Number | 926270-89-5 |
| Catalog Number | AG01A7LP |
| Chemical Name | [(3,4-Difluorophenyl)methyl][2-(dimethylamino)ethyl]amine |
| IUPAC Name | N-[(3,4-difluorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine |
| InChI | InChI=1S/C11H16F2N2/c1-15(2)6-5-14-8-9-3-4-10(12)11(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3 |
| InChI Key | BJWXDXKVROFRQK-UHFFFAOYSA-N |
| MDL Number | MFCD09047827 |
| Molecular Formula | C11H16F2N2 |
| Molecular Weight | 214.2549 |
| SMILES | CN(CCNCC1=CC(F)=C(F)C=C1)C |
| Synonyms | [(3,4-difluorophenyl)methyl][2-(dimethylamino)ethyl]amine,
926270-89-5,
AC1Q3WV3,
CTK6I1029,
ZINC22142131,
AKOS000131299,
MCULE-1972006764,
NE21702,
EN300-59092,
Z86135517,
N'-(3,4-DIFLUOROBENZYL)-N,N-DIMETHYLETHANE-1,2-DIAMINE,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.26g/mol |
| Monoisotopic Mass | 214.128g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number