| CAS Number | 869942-55-2 |
| Catalog Number | AG004KEF(AGN-PC-0WB7Z2) |
| Chemical Name | [(4-ethylphenyl)methyl](2-methylpropyl)amine |
| IUPAC Name | N-[(4-ethylphenyl)methyl]-2-methylpropan-1-amine |
| InChI | InChI=1S/C13H21N/c1-4-12-5-7-13(8-6-12)10-14-9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3 |
| InChI Key | CRVLROUGAOPIIK-UHFFFAOYSA-N |
| MDL Number | MFCD04526549 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CCC1=CC=C(CNCC(C)C)C=C1 |
| Synonyms | 869942-55-2,
(4-ETHYLBENZYL)ISOBUTYLAMINE,
N-(4-ethylbenzyl)-2-methylpropan-1-amine,
[(4-ethylphenyl)methyl](2-methylpropyl)amine,
AC1NG13X,
CTK5F7526,
KS-00001LTP,
DTXSID90405888,
CHEMBRDG-BB 9071823,
N-(4-ethylbenzyl)-N-isobutylamine,
ZINC8337962,
MFCD04526549,
STK280303,
AKOS000227032,
MCULE-4769906180,
AJ-57488,
Y-1357,
AN-465/42245377,
N-[(4-ethylphenyl)methyl]-2-methylpropan-1-amine,
CID4717020,
N-[(4-ethylphenyl)methyl]-2-methyl-propan-1-amine,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.318g/mol |
| Monoisotopic Mass | 191.167g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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