| CAS Number | 75716-46-0 |
| Catalog Number | AG019UO4(AGN-PC-044F5Z) |
| Chemical Name | 1-(4-Aminobutoxy)-4-methylbenzene |
| IUPAC Name | 4-(4-methylphenoxy)butan-1-amine |
| InChI | InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h4-7H,2-3,8-9,12H2,1H3 |
| InChI Key | NCAJSWHJILCMSV-UHFFFAOYSA-N |
| MDL Number | MFCD09807731 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CC1=CC=C(OCCCCN)C=C1 |
| Synonyms | 1-(4-aminobutoxy)-4-methylbenzene,
75716-46-0,
4-(4-methylphenoxy)butan-1-amine,
1-Amino-4-(4-methylphenoxy)butane,
AC1Q2MYJ,
4-(4-methylphenoxy)butylamine,
SCHEMBL6849781,
CTK7E8121,
NCAJSWHJILCMSV-UHFFFAOYSA-N,
4-(4-Methylphenoxy)butane-1-amine,
ZINC15014430,
AKOS000152647,
MCULE-4480124265,
NE25803,
EN300-42266,
Z1259087059,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number