| CAS Number | 89229-91-4 |
| Catalog Number | AG0043DV(AGN-PC-0VOOBQ) |
| Chemical Name | 3-(1H-indol-3-yl)butan-1-ol |
| EC Number | 289-481-8 |
| IUPAC Name | 3-(1H-indol-3-yl)butan-1-ol |
| InChI | InChI=1S/C12H15NO/c1-9(6-7-14)11-8-13-12-5-3-2-4-10(11)12/h2-5,8-9,13-14H,6-7H2,1H3 |
| InChI Key | DBLCQDJUAPOYPD-UHFFFAOYSA-N |
| MDL Number | MFCD20664230 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | CC(C1C2=C(C=CC=C2)NC=1)CCO |
| Synonyms | 3-(1H-indol-3-yl)butan-1-ol,
89229-91-4,
1H-Indole-3-propanol, g-methyl-,
gamma-Methyl-1H-indole-3-propanol,
EINECS 289-481-8,
ACMC-20ljkc,
SCHEMBL9214943,
CTK5G2650,
AKOS026423609,
NE32490,
gamma-Methyl-1H-indole-3-(1-propanol),
F8887-5239,
Z1895554285,
C12H15NO,
C12-H15-N-O,
CID11971051,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.258g/mol |
| Monoisotopic Mass | 189.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number