| CAS Number | 83986-67-8 |
| Catalog Number | AG00GKC8 |
| Chemical Name | [3-(4-Methoxyphenyl)propyl](methyl)amine |
| IUPAC Name | 3-(4-methoxyphenyl)-N-methylpropan-1-amine |
| InChI | InChI=1S/C11H17NO/c1-12-9-3-4-10-5-7-11(13-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3 |
| InChI Key | UHXHHIAYNSRNOI-UHFFFAOYSA-N |
| MDL Number | MFCD07374124 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | CNCCCC1=CC=C(OC)C=C1 |
| Synonyms | [3-(4-methoxyphenyl)propyl](methyl)amine,
83986-67-8,
1-(methylamino)-3-(p-methoxyphenyl)propane,
AC1MNOGR,
[3-(4-METHOXY-PHENYL)-PROPYL]-METHYL-AMINE,
AC1Q419W,
SCHEMBL4615272,
CTK8F2455,
ZINC5921192,
AKOS009344887,
AB38807,
MCULE-1028536402,
NE13654,
3-(4-methoxyphenyl)-N-methylpropan-1-amine,
4-METHOXY-N-METHYL-BENZENEPROPANAMINE,
EN300-52132,
Z763030034,
CID3355987,
3-(4-methoxyphenyl)-N-methyl-propan-1-amine,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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