N-Boc-3-iodoaniline - CAS 143390-49-2
Catalog: |
BB009574 |
Product Name: |
N-Boc-3-iodoaniline |
CAS: |
143390-49-2 |
Synonyms: |
tert-butyl N-(3-iodophenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-iodophenyl)carbamate |
Description: | N-Boc-3-iodoaniline (CAS# 143390-49-2) is a compound useful in organic synthesis. |
Molecular Weight: | 319.14 |
Molecular Formula: | C11H14INO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC(=CC=C1)I |
InChI: | InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14) |
InChI Key: | MPCQRNOVFYBCTQ-UHFFFAOYSA-N |
Density: | 1.601 g/cm3 |
Appearance: | Yellow oil |
LogP: | 3.71120 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214113-A | Preparation method of aniline para-trifluoromethylated derivative | 20210407 |
CN-110573509-A | MLKL inhibitors | 20170228 |
US-2019381052-A1 | MLKL Inhibitors | 20170228 |
WO-2018157800-A1 | Mlkl inhibitors | 20170228 |
EP-2300465-B1 | Imidazopyridine derivatives as inhibitors of receptor tyrosine kinases | 20080613 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.00693 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.00693 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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