| CAS Number | 940196-09-8 |
| Catalog Number | AG00JTC0(AGN-PC-0WBZ52) |
| Chemical Name | [(4-Ethoxyphenyl)methyl](propan-2-yl)amine |
| IUPAC Name | N-[(4-ethoxyphenyl)methyl]propan-2-amine |
| InChI | InChI=1S/C12H19NO/c1-4-14-12-7-5-11(6-8-12)9-13-10(2)3/h5-8,10,13H,4,9H2,1-3H3 |
| InChI Key | ZDLALHMIFXHJAP-UHFFFAOYSA-N |
| MDL Number | MFCD08757432 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CCOC1=CC=C(CNC(C)C)C=C1 |
| Synonyms | N-(4-ETHOXYBENZYL)-2-PROPANAMINE,
940196-09-8,
[(4-Ethoxyphenyl)methyl](propan-2-yl)amine,
CTK6G1937,
3783AF,
MFCD08757432,
ZINC10435907,
AKOS000228733,
MCULE-4514980161,
KS-00001L82,
[(4-ethoxyphenyl)methyl](isopropyl)amine,
F1911-1747,
Z1076467054,
C12H19NO,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number