2-Amino-5-nitrobenzyl Alcohol - CAS 77242-30-9
Catalog: |
BB035867 |
Product Name: |
2-Amino-5-nitrobenzyl Alcohol |
CAS: |
77242-30-9 |
Synonyms: |
(2-amino-5-nitrophenyl)methanol; (2-amino-5-nitrophenyl)methanol |
IUPAC Name: | (2-amino-5-nitrophenyl)methanol |
Description: | 2-Amino-5-nitrobenzyl Alcohol (CAS# 77242-30-9) is used in preparation of Spiropyridooxazinepyrrolidine compounds as dual inhibitors of factor XIa and plasma kallikrein. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])CO)N |
InChI: | InChI=1S/C7H8N2O3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4,8H2 |
InChI Key: | XEALBFKUNCXFTO-UHFFFAOYSA-N |
Boiling Point: | 427.3 °C at 760 mmHg |
Density: | 1.432 g/cm3 |
LogP: | 1.77370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020181104-A | Liquid crystal alignment agent for photo-alignment, liquid crystal alignment film and liquid crystal display element using this | 20190425 |
JP-2020008716-A | Liquid crystal alignment film, method of manufacturing the same, and liquid crystal display device using the liquid crystal alignment film | 20180706 |
CN-110551508-A | Liquid crystal aligning agent for photo-alignment, liquid crystal alignment film, liquid crystal display element, method for forming liquid crystal alignment film, method for forming liquid crystal display element, and polyamic acid or derivative thereof | 20180601 |
JP-2019211777-A | Liquid crystal aligning agent for photo-alignment, liquid crystal alignment film, and liquid crystal display device using the same | 20180601 |
KR-20190137712-A | Liquid crystal alignment agent for photo alignment, liquid crystal alignment film and liquid crystal display device using the same | 20180601 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Amines and Anilines
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