N-Boc-4-isothiocyanatoaniline - CAS 89631-75-4
Catalog: |
BB039545 |
Product Name: |
N-Boc-4-isothiocyanatoaniline |
CAS: |
89631-75-4 |
Synonyms: |
tert-butyl N-(4-isothiocyanatophenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-isothiocyanatophenyl)carbamate |
Description: | N-Boc-4-isothiocyanatoaniline (CAS# 89631-75-4 ) is a useful research chemical. |
Molecular Weight: | 250.32 |
Molecular Formula: | C12H14N2O2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)N=C=S |
InChI: | InChI=1S/C12H14N2O2S/c1-12(2,3)16-11(15)14-10-6-4-9(5-7-10)13-8-17/h4-7H,1-3H3,(H,14,15) |
InChI Key: | KMOFDGFIFPIQCT-UHFFFAOYSA-N |
Boiling Point: | 329.2 °C at 760 mmHg |
Purity: | 98.0+ % |
Density: | 1.12 g/cm3 |
MDL: | MFCD01862957 |
LogP: | 3.84090 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020247973-A1 | Methods and compositions for treating cancer with cancer-targeted adjuvants | 20190603 |
WO-2019051428-A1 | CAS9 ANTIBODY MEDIA ADMINISTRATION TO MAMMALIAN CELLS | 20170911 |
EP-3681999-A1 | Antibody-mediated delivery of cas9 to mammalian cells | 20170911 |
US-2020362038-A1 | Antibody-mediated delivery of cas9 to mammalian cells | 20170911 |
EP-3655104-A1 | An osteoadsorptive fluorogenic substrate of cathepsin k for imaging osteoclast activity and migration | 20170715 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.07759887 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.07759887 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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