8-Amino-4-methyl-3,4-dihydro-2h-1,4-benzoxazin-3-one - CAS 1018254-91-5
Catalog: |
BB074613 |
Product Name: |
8-Amino-4-methyl-3,4-dihydro-2h-1,4-benzoxazin-3-one |
CAS: |
1018254-91-5 |
Synonyms: |
8-Amino-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one; 8-amino-4-methyl-1,4-benzoxazin-3-one; 8-Amino-4-methyl-2H-1,4-benzoxazin-3(4H)-one |
IUPAC Name: | 8-amino-4-methyl-1,4-benzoxazin-3-one |
Molecular Weight: | 178.18 |
Molecular Formula: | C9H10N2O2 |
Canonical SMILES: | CN1C(=O)COC2=C(C=CC=C21)N |
InChI: | InChI=1S/C9H10N2O2/c1-11-7-4-2-3-6(10)9(7)13-5-8(11)12/h2-4H,5,10H2,1H3 |
InChI Key: | TYHFSDSZRQLYEF-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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