| CAS Number | 146426-02-0 |
| Catalog Number | AG019WS8(AGN-PC-02DD5B) |
| Chemical Name | N-(4-aminobutyl)-N-methylaniline |
| IUPAC Name | N'-methyl-N'-phenylbutane-1,4-diamine |
| InChI | InChI=1S/C11H18N2/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,12H2,1H3 |
| InChI Key | JLEMNVMHZPEHBM-UHFFFAOYSA-N |
| MDL Number | MFCD09723562 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CN(C1=CC=CC=C1)CCCCN |
| Synonyms | N-(4-aminobutyl)-N-methylaniline,
N1-Methyl-N1-phenylbutane-1,4-diamine,
146426-02-0,
AC1Q3XGQ,
SCHEMBL8993948,
CTK7E8035,
JLEMNVMHZPEHBM-UHFFFAOYSA-N,
ZINC11805325,
AKOS000159574,
MCULE-3356090715,
N-methyl-N-phenyl-tetramethylenediamine,
NE14297,
EN300-52991,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.279g/mol |
| Monoisotopic Mass | 178.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number