| CAS Number | 885530-72-3 |
| Catalog Number | AG019PJU |
| Chemical Name | N1,N1-Diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine |
| IUPAC Name | N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine |
| InChI | InChI=1S/C13H22N2O/c1-4-15(5-2)13(10-14)11-7-6-8-12(9-11)16-3/h6-9,13H,4-5,10,14H2,1-3H3 |
| InChI Key | FDSWKHRJTLVBAX-UHFFFAOYSA-N |
| MDL Number | MFCD08444207 |
| Molecular Formula | C13H22N2O |
| Molecular Weight | 222.3266 |
| SMILES | CCN(C(C1=CC(OC)=CC=C1)CN)CC |
| Synonyms | N-[2-amino-1-(3-methoxyphenyl)ethyl]-N,N-diethylamine,
885530-72-3,
[2-amino-1-(3-methoxyphenyl)ethyl]diethylamine,
N1,N1-Diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine,
CTK7E2793,
AKOS000263480,
MCULE-8636229543,
NE13843,
BB 0218597,
EN300-23968,
AC1Q2YXO,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.173213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.33g/mol |
| Monoisotopic Mass | 222.173213g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number