N-Boc-4-aminobenzonitrile - CAS 143090-18-0
Catalog: |
BB009494 |
Product Name: |
N-Boc-4-aminobenzonitrile |
CAS: |
143090-18-0 |
Synonyms: |
tert-butyl N-(4-cyanophenyl)carbamate |
IUPAC Name: | tert-butyl N-(4-cyanophenyl)carbamate |
Description: | N-Boc-4-aminobenzonitrile (CAS# 143090-18-0) is a useful research chemical. |
Molecular Weight: | 218.25 |
Molecular Formula: | C12H14N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3,(H,14,15) |
InChI Key: | CPIRTCVNDVQQLE-UHFFFAOYSA-N |
Boiling Point: | 302 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
LogP: | 2.97828 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021171531-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021113682-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021016333-A1 | Aryl sulfonamides as small molecule stat3 inhibitors | 20190722 |
TW-201940470-A | Novel heterocyclic compounds | 20180309 |
WO-2019171234-A1 | Heterocyclic compounds as fungicides | 20180309 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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