2-(Boc-amino)benzaldehyde - CAS 74965-38-1
Catalog: |
BB035198 |
Product Name: |
2-(Boc-amino)benzaldehyde |
CAS: |
74965-38-1 |
Synonyms: |
tert-butyl N-(2-formylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-formylphenyl)carbamate |
Description: | 2-(Boc-amino)benzaldehyde (CAS# 74965-38-1) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC=C1C=O |
InChI: | InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h4-8H,1-3H3,(H,13,15) |
InChI Key: | DHALMIBUKCNMLD-UHFFFAOYSA-N |
Boiling Point: | 291.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.163 g/cm3 |
Appearance: | White to yellow or beige powder or crystals |
MDL: | MFCD01861809 |
LogP: | 2.91910 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020006016-A1 | Naphthyridinone compounds useful as t cell activators | 20180627 |
AU-2019291792-A1 | Naphthyridinone compounds useful as T cell activators | 20180627 |
BR-112020026568-A2 | NAFTYRIDINONE COMPOUNDS USEFUL AS T-CELL ACTIVATORS | 20180627 |
CN-112585139-A | Nalidinone compounds as T cell activators | 20180627 |
EP-3814347-A1 | Naphthyridinone compounds useful as t cell activators | 20180627 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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