| CAS Number | 847837-44-9 |
| Catalog Number | AG00GFAO(AGN-PC-0WQYFI) |
| Chemical Name | 2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine |
| IUPAC Name | 2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine |
| InChI | InChI=1S/C14H23N/c1-10(2)9-12-5-7-13(8-6-12)14(15)11(3)4/h5-8,10-11,14H,9,15H2,1-4H3 |
| InChI Key | HFNQOEAJQAHGHO-UHFFFAOYSA-N |
| MDL Number | MFCD07323202 |
| Molecular Formula | C14H23N |
| Molecular Weight | 205.3391 |
| SMILES | CC(CC1=CC=C(C(C(C)C)N)C=C1)C |
| Synonyms | 2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine,
1-(4-isobutylphenyl)-2-methylpropan-1-amine,
847837-44-9,
AC1NLQZV,
AC1Q1P88,
CTK6A7016,
MFCD07323202,
AKOS000250316,
AKOS017276443,
MCULE-5021020044,
NE28266,
EN300-13849,
Z94598489,
CID4962686,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.345g/mol |
| Monoisotopic Mass | 205.183g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number