2-Amino-6-nitrobenzyl Alcohol - CAS 98451-51-5
Catalog: |
BB042167 |
Product Name: |
2-Amino-6-nitrobenzyl Alcohol |
CAS: |
98451-51-5 |
Synonyms: |
(2-amino-6-nitrophenyl)methanol; (2-amino-6-nitrophenyl)methanol |
IUPAC Name: | (2-amino-6-nitrophenyl)methanol |
Description: | 2-Amino-6-nitrobenzyl Alcohol (CAS# 98451-51-5) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])CO)N |
InChI: | InChI=1S/C7H8N2O3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-3,10H,4,8H2 |
InChI Key: | BSQXKAWQRQDMAK-UHFFFAOYSA-N |
Boiling Point: | 386.8 °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: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2011255169-A1 | Fused quinazoline derivatives and uses thereof | 20100521 |
CA-2799989-A1 | Polycyclic quinazolines, preparation thereof, and use thereof | 20100521 |
EP-2592083-A1 | Fused quinazoline derivatives and uses thereof | 20100521 |
JP-2013526590-A | Fused ring quinazoline derivatives and uses thereof | 20100521 |
KR-20130045275-A | A kind of conjugated ring quinazoline derivatives and their applications | 20100521 |
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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