| CAS Number | 1094710-32-3 |
| Catalog Number | AG00JK7C(AGN-PC-0WODDF) |
| Chemical Name | 1-(2-methylpropyl)-1H-indol-5-amine |
| IUPAC Name | 1-(2-methylpropyl)indol-5-amine |
| InChI | InChI=1S/C12H16N2/c1-9(2)8-14-6-5-10-7-11(13)3-4-12(10)14/h3-7,9H,8,13H2,1-2H3 |
| InChI Key | DYLXFJYFIPXDMN-UHFFFAOYSA-N |
| MDL Number | MFCD11213924 |
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.2688 |
| SMILES | CC(CN1C2=C(C=C(C=C2)N)C=C1)C |
| Synonyms | 1-(2-methylpropyl)-1H-indol-5-amine,
1094710-32-3,
1-isobutyl-1H-indol-5-amine,
AC1Q1PLV,
CTK6A8384,
BBL031889,
STL314029,
ZINC36949944,
AKOS009350061,
MCULE-8067755675,
NE22758,
EN300-56534,
Z1262237399,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.274g/mol |
| Monoisotopic Mass | 188.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number