2-amino-6-nitro-3,4-dihydroquinazolin-4-one - CAS 87597-83-9
Catalog: |
BB038539 |
Product Name: |
2-amino-6-nitro-3,4-dihydroquinazolin-4-one |
CAS: |
87597-83-9 |
Synonyms: |
2-amino-6-nitro-3H-quinazolin-4-one; 2-amino-6-nitro-3H-quinazolin-4-one |
IUPAC Name: | 2-amino-6-nitro-3H-quinazolin-4-one |
Description: | 2-amino-6-nitro-3,4-dihydroquinazolin-4-one (CAS# 87597-83-9 ) is a useful research chemical. |
Molecular Weight: | 206.161 |
Molecular Formula: | C8H6N4O3 |
Canonical SMILES: | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=N2)N |
InChI: | InChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13) |
InChI Key: | AFQWWNVKKIMPGC-UHFFFAOYSA-N |
LogP: | 1.27910 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-9313079-A1 | Antifolate quinazolines | 19911220 |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.04399007 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.04399007 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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