N-Boc-1H-indole - CAS 75400-67-8
Catalog: |
BB035310 |
Product Name: |
N-Boc-1H-indole |
CAS: |
75400-67-8 |
Synonyms: |
1-indolecarboxylic acid tert-butyl ester; tert-butyl indole-1-carboxylate |
IUPAC Name: | tert-butyl indole-1-carboxylate |
Description: | N-Boc-1H-indole (CAS# 75400-67-8) is a useful research chemical. |
Molecular Weight: | 217.26 |
Molecular Formula: | C13H15NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=CC=CC=C21 |
InChI: | InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-9H,1-3H3 |
InChI Key: | OWPIFQXNMLDXKW-UHFFFAOYSA-N |
Boiling Point: | 201 °C |
Density: | 1.07 g/cm3 |
MDL: | MFCD02093939 |
LogP: | 3.42450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21815225 | 20110905 | Deprotonative metalation of aromatic compounds by using an amino-based lithium cuprate | Chemistry (Weinheim an der Bergstrasse, Germany) |
17117873 | 20061129 | Enantioselective synthesis of diversely substituted quaternary 1,4-benzodiazepin-2-ones and 1,4-benzodiazepine-2,5-diones | Journal of the American Chemical Society |
12375996 | 20021018 | A non-cryogenic method for the preparation of 2-(indolyl) borates, silanes, and silanols | The Journal of organic chemistry |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.110278721 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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