| CAS Number | 83672-23-5 |
| Catalog Number | AG00G2MI(AGN-PC-0UP6L6) |
| Chemical Name | 3-tert-Butylaniline hcl |
| IUPAC Name | 3-tert-butylaniline;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-10(2,3)8-5-4-6-9(11)7-8;/h4-7H,11H2,1-3H3;1H |
| InChI Key | BACCRCHRMWNPPT-UHFFFAOYSA-N |
| MDL Number | MFCD08273794 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | Cl.NC1(=CC(=CC=C1)C(C)(C)C) |
| Synonyms | 3-(tert-Butyl)aniline hydrochloride,
83672-23-5,
3-tert-butylaniline hydrochloride,
3-tert-Butylaniline hcl,
3-t-Butylaniline hydrochloride,
SCHEMBL10829559,
CTK7D8789,
KS-00002AVK,
DTXSID70604054,
BACCRCHRMWNPPT-UHFFFAOYSA-N,
ZX-AT004848,
MFCD08273794,
OR3212,
AKOS026675626,
PS-8486,
3-tert-Butylaniline--hydrogen chloride (1/1),
3-TERT-BUTYLANILINEHCL,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.695g/mol |
| Monoisotopic Mass | 185.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number