| CAS Number | 874571-73-0 |
| Catalog Number | AG00IELR(AGN-PC-0WD0YY) |
| Chemical Name | (2-Methyl-4-(trifluoromethyl)phenyl)methanamine |
| IUPAC Name | [2-methyl-4-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C9H10F3N/c1-6-4-8(9(10,11)12)3-2-7(6)5-13/h2-4H,5,13H2,1H3 |
| InChI Key | VMJKHBXPGXRDHD-UHFFFAOYSA-N |
| MDL Number | MFCD20724401 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | CC1=C(CN)C=CC(C(F)(F)F)=C1 |
| Synonyms | (2-Methyl-4-(trifluoromethyl)phenyl)methanamine,
874571-73-0,
[2-methyl-4-(trifluoromethyl)phenyl]methanamine,
2-methyl-4-trifluoromethyl-benzylamine,
SCHEMBL1972143,
DTXSID60727887,
3855AC,
ZINC91301570,
AKOS016012953,
MCULE-5005267627,
NE16682,
AJ-129730,
1-[2-Methyl-4-(trifluoromethyl)phenyl]methanamine,
Z1801361776,
C9H10F3N,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number