| CAS Number | 76293-74-8 |
| Catalog Number | AG01A7Q4(AGN-PC-0NJF4M) |
| Chemical Name | 3-(2-Methylphenyl)propan-1-amine |
| IUPAC Name | 3-(2-methylphenyl)propan-1-amine |
| InChI | InChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3 |
| InChI Key | LUYOTDGHRZDHDB-UHFFFAOYSA-N |
| MDL Number | MFCD07374073 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CC1=C(CCCN)C=CC=C1 |
| Synonyms | 3-(2-methylphenyl)propan-1-amine,
76293-74-8,
2-METHYL-BENZENEPROPANAMINE,
[3-(2-methylphenyl)propyl]amine,
AC1Q2F1Y,
3-(2-Methylphenyl)propylamine,
SCHEMBL3863804,
CTK7E7819,
LUYOTDGHRZDHDB-UHFFFAOYSA-N,
MFCD07374073,
ZINC11596863,
BENZENEPROPANAMINE, 2-METHYL-,
AKOS005266043,
AB38679,
MCULE-8865811889,
NE55826,
BS-12128,
EN300-59496,
F9995-2099,
Z1262253019,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number