| CAS Number | 53759-86-7 |
| Catalog Number | AG01AKBO(AGN-PC-0NJO8T) |
| Chemical Name | (2-Ethylphenyl)methanamine |
| IUPAC Name | (2-ethylphenyl)methanamine |
| InChI | InChI=1S/C9H13N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7,10H2,1H3 |
| InChI Key | JPYXQNWIQIBLJT-UHFFFAOYSA-N |
| MDL Number | MFCD06212677 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| SMILES | NCC1=CC=CC=C1CC |
| Synonyms | (2-ethylphenyl)methanamine,
53759-86-7,
2-ethylbenzylamine,
Benzenemethanamine, 2-ethyl-,
benzenemethanamine,2-ethyl-,
SCHEMBL79982,
JPYXQNWIQIBLJT-UHFFFAOYSA-N,
MFCD06212677,
ZINC39256405,
AKOS011679395,
MCULE-8095415047,
NE17748,
FT-0740775,
EN300-83352,
Z1250132766,
2-ethylBenzenemethanamine,
|
| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.21g/mol |
| Monoisotopic Mass | 135.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number