| CAS Number | 104178-20-3 |
| Catalog Number | AG01AGM9(AGN-PC-0WC3WZ) |
| Chemical Name | N1-Butyl-N1-methylbenzene-1,4-diamine |
| IUPAC Name | 4-N-butyl-4-N-methylbenzene-1,4-diamine |
| InChI | InChI=1S/C11H18N2/c1-3-4-9-13(2)11-7-5-10(12)6-8-11/h5-8H,3-4,9,12H2,1-2H3 |
| InChI Key | YEMIAPOPTRUFTL-UHFFFAOYSA-N |
| MDL Number | MFCD09803412 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CCCCN(C1=CC=C(N)C=C1)C |
| Synonyms | 1-N-butyl-1-N-methylbenzene-1,4-diamine,
104178-20-3,
N1-Butyl-N1-methylbenzene-1,4-diamine,
N-butyl-N-methyl-p-phenylenediamine,
N-1-Butyl-N-1-methyl-1,4-benzenediamine,
AC1Q2WQL,
SCHEMBL6611848,
CTK6E1961,
ZINC19386099,
AKOS000160385,
MCULE-5551283607,
NE19649,
AJ-73042,
EN300-72244,
|
| Complexity | 128 |
| 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 | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number