2,3-Dihydro-1,1,3-trimethyl-2-methylene-1H-benz[e]indole - CAS 344928-74-1
Catalog: |
BB067445 |
Product Name: |
2,3-Dihydro-1,1,3-trimethyl-2-methylene-1H-benz[e]indole |
CAS: |
344928-74-1 |
Synonyms: |
1,1,3-Trimethyl-2-methylene-2,3-dihydro-1H-benzo[e]indole |
IUPAC Name: | 1,1,3-trimethyl-2-methylidenebenzo[e]indole |
Description: | 2,3-Dihydro-1,1,3-trimethyl-2-methylene-1H-benz[e]indole is a reagent used in the preparation of stable and fluorescent switching spirooxazines. |
Molecular Weight: | 223.31 |
Molecular Formula: | C16H17N |
Canonical SMILES: | CC1(C(=C)N(C2=C1C3=CC=CC=C3C=C2)C)C |
InChI: | InChI=1S/C16H17N/c1-11-16(2,3)15-13-8-6-5-7-12(13)9-10-14(15)17(11)4/h5-10H,1H2,2-4H3 |
InChI Key: | XQWHKLIJFAHNNR-UHFFFAOYSA-N |
References: | Meng, X., et al. Tetrahedron, 62, 9840 (2006). |
GHS Hazard Statement: | H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
Precautionary Statement: | P203, P281, P318, P405, and P501 |
Signal Word: | Warning |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.136099547 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 3.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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