| CAS Number | 1221725-87-6 |
| Catalog Number | AG01A8B9 |
| Chemical Name | 4-(2,3-Dihydro-1h-indol-5-ylmethyl)aniline |
| IUPAC Name | 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline |
| InChI | InChI=1S/C15H16N2/c16-14-4-1-11(2-5-14)9-12-3-6-15-13(10-12)7-8-17-15/h1-6,10,17H,7-9,16H2 |
| InChI Key | KXMNPYKIVCLNIA-UHFFFAOYSA-N |
| MDL Number | MFCD15209690 |
| Molecular Formula | C15H16N2 |
| Molecular Weight | 224.3009 |
| SMILES | NC1=CC=C(CC2=CC3=C(NCC3)C=C2)C=C1 |
| Synonyms | 4-(2,3-dihydro-1H-indol-5-ylmethyl)aniline,
1221725-87-6,
4-[(2,3-dihydro-1H-indol-5-yl)methyl]aniline,
AC1Q51ZF,
CTK7D7372,
ZINC47843897,
AKOS033203603,
MCULE-8994631713,
NE39719,
EN300-61223,
Z1262250835,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.307g/mol |
| Monoisotopic Mass | 224.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number