5-Aminoisatoic anhydride - CAS 169037-24-5
Catalog: |
BB012513 |
Product Name: |
5-Aminoisatoic anhydride |
CAS: |
169037-24-5 |
Synonyms: |
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-amino-; 6-Amino-2H-3,1-benzoxazine-2,4(1H)-dione; 6-Amino-1H-benzo[d][1,3]oxazine-2,4-dione |
IUPAC Name: | 6-amino-1H-3,1-benzoxazine-2,4-dione |
Molecular Weight: | 178.14 |
Molecular Formula: | C8H6N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1N)C(=O)OC(=O)N2 |
InChI: | InChI=1S/C8H6N2O3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,9H2,(H,10,12) |
InChI Key: | QEQDLBKVHJXPJA-UHFFFAOYSA-N |
Melting Point: | >300°C |
Purity: | 95% |
Density: | 1.501±0.06 g/cm3 |
Appearance: | Brown to black powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00060534 |
LogP: | 0.64470 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-106397446-A | Method for preparing 2-(piperazidine-1-yl)-8-fluorine tryptanthrin | 20160831 |
CN-106397446-B | A method of preparing 2- (piperazine -1- base) -8- flutamine ketone | 20160831 |
US-2017114029-A1 | Treatment of chagas disease | 20140611 |
WO-2015189595-A1 | Treatment of chagas disease | 20140611 |
CN-104910298-B | The nitrile rubber and its manufacturing method of hydrogenation containing aminomethyl | 20140310 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 81.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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