| CAS Number | 46114-16-3 |
| Catalog Number | AG006XFP(AGN-PC-0RUB2B) |
| Chemical Name | 3-METHYL-1-PHENYLBUTAN-2-AMINE |
| IUPAC Name | 3-methyl-1-phenylbutan-2-amine |
| InChI | InChI=1S/C11H17N/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11H,8,12H2,1-2H3 |
| InChI Key | AKXXBEHEYPLJPX-UHFFFAOYSA-N |
| MDL Number | MFCD11934510 |
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| SMILES | CC(C(CC1=CC=CC=C1)N)C |
| Synonyms | 46114-16-3,
alpha-Isopropylphenethylamine,
SCHEMBL4692960,
3-Methyl-1-phenylbutan-2-amine,
CTK8I7891,
2-amino-1-phenyl-3-methylbutane,
AKOS010037667,
1-PHENYL-2-AMINO-3-METHYLBUTANE,
alpha-(1-Methylethyl)benzeneethanamine,
C11-H17-N,
CID11041036,
Benzeneethanamine, alpha-(1-methylethyl)-,
Benzeneethanamine, -alpha--(1-methylethyl)-,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.264g/mol |
| Monoisotopic Mass | 163.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number