| CAS Number | 22675-83-8 |
| Catalog Number | AG00CC0R(AGN-PC-0JYNL9) |
| Chemical Name | N-(1,1-Dimethylethyl)-4-methoxybenzenemethanamine |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C12H19NO/c1-12(2,3)13-9-10-5-7-11(14-4)8-6-10/h5-8,13H,9H2,1-4H3 |
| InChI Key | HJTHGDULOMBYOG-UHFFFAOYSA-N |
| MDL Number | MFCD01427015 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(C)(C)NCC1=CC=C(C=C1)OC |
| Synonyms | 22675-83-8,
N-(4-Methoxyphenylmethyl)tert-butylamine,
N-(tert-butyl)-N-(4-methoxybenzyl)amine,
tert-butyl[(4-methoxyphenyl)methyl]amine,
AC1LIYIA,
Oprea1_247722,
4-Methoxybenzyl tert-butylamine,
SCHEMBL10245176,
CTK7A3968,
DTXSID40359468,
N-(p-methoxybenzyl)-t-butylamine,
ZINC4948241,
AKOS000134378,
MCULE-8936261048,
(tert-butyl)[(4-methoxyphenyl)methyl]amine,
ST45113117,
N-[(4-methoxyphenyl)methyl]-2-methylpropan-2-amine,
F1911-1788,
CID964807,
N-[(4-methoxyphenyl)methyl]-2-methyl-propan-2-amine,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number