| CAS Number | 70743-76-9 |
| Catalog Number | AG019WRT |
| Chemical Name | 3-Butoxyaniline hydrochloride |
| IUPAC Name | 3-butoxyaniline;hydrochloride |
| InChI | InChI=1S/C10H15NO.ClH/c1-2-3-7-12-10-6-4-5-9(11)8-10;/h4-6,8H,2-3,7,11H2,1H3;1H |
| InChI Key | HOQFMILTYTWOSF-UHFFFAOYSA-N |
| MDL Number | MFCD08146629 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | Cl.CCCCOC1=CC(N)=CC=C1 |
| Synonyms | 3-butoxyaniline hydrochloride,
70743-76-9,
(3-butoxyphenyl)amine hydrochloride,
AC1Q39PT,
3-butoxyphenylamine, chloride,
ARONIS013167,
CTK6E3509,
KS-000043WC,
AKOS005111292,
MCULE-5612944891,
NE29451,
ST45049878,
EN300-52930,
Z802665964,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.694g/mol |
| Monoisotopic Mass | 201.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number