| CAS Number | 1176740-73-0 |
| Catalog Number | AG003M3F(AGN-PC-0WAFTA) |
| Chemical Name | 5-(2,6-Dimethylphenyl)indoline |
| IUPAC Name | 5-(2,6-dimethylphenyl)-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C16H17N/c1-11-4-3-5-12(2)16(11)14-6-7-15-13(10-14)8-9-17-15/h3-7,10,17H,8-9H2,1-2H3 |
| InChI Key | BJTXJWHVSAAQJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11878807 |
| Molecular Formula | C16H17N |
| Molecular Weight | 223.3129 |
| SMILES | CC1=CC=CC(C)=C1C1=CC2=C(NCC2)C=C1 |
| Synonyms | 5-(2,6-Dimethylphenyl)indoline,
1176740-73-0,
5-(2,6-dimethylphenyl)-2,3-dihydro-1H-Indole,
5-(2?6-Dimethylphenyl)indoline,
KS-00000DJ7,
6233AJ,
MFCD11878807,
ZINC33487690,
AKOS022229568,
OR51808,
AS-32484,
DA-15017,
SY027164,
FT-0766306,
Z-3704,
MFCD11878807 (97+%),
C16H17N,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.319g/mol |
| Monoisotopic Mass | 223.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H317
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number