-
Substance Detail CAS Registry Number 104992-55-4 Key Physical Properties Value Condition Molecular Weight 988.19 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32) NC (= O) C = 4C = CC = CC4) C1O [Si] (C) (C) C (C) (C) C) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) N (C (C) C) C (C) C eromeriske SMILES C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] (O1) N = ... 3C -
-
Substance Detail CAS Registry Number 163759-94-2 Key Physical Properties Value Condition Molecular Weight 922.01 - pKa (Predicted) 8.59±0.40 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C 6) N (C (C) C) C (C) C isomeriske smil. C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C (= O) N = C (NC (= O) C3 = CC = CC = C3) C (C) = C2) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C ... -
-
Substance Detail CAS Registry Number 251647-53-7 H302 Key Physical Properties Value Condition Molecular Weight 932.01 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32) NC (= O) C = 4C = CC = CC4) C1OCCOC) COC (C = 5C = CC = CC5) (C6 = CC = C (OC) C = C6) C7 = CC = C (OC) C = C7) N (C (C) C) C (C) C isomeriske smiler C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) (C5 = CC = C (OC) -
Substance Detail CAS Registry Number 159414-99-0 Key Physical Properties Value Condition Molecular Weight 789.83 - pKa (Predicted) 10.11±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#cccop (oc1c (f) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C) C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = C = C (OC) C = C4) C5 = CC = CC = C5 Inchi Inch ... -
-
Substance Detail CAS Registry Number 144089-97-4 Key Physical Properties Value Condition Molecular Weight 857.91 - pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = 6C (= O) N = C (NC (= O) C (C) C) NC65) N (C (C (C) C) C (C) C (C) C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (F) [C @@ H] (O1) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = C = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = ... -
-
Substance Detail CAS Registry Number 199593-09-4 Key Physical Properties Value Condition Molecular Weight 801.87 - pKa (Predicted) 10.18±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=CC(= NC2 = O) NC (= O) C) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C) C) C (C) C isomeriske smil C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5 inchi Inchi = 1S/... -
Substance Detail CAS Registry Number 110764-79-9 H335, H331, H319, H315, H311, H301+H311+H331, H301 Key Physical Properties Value Condition Molecular Weight 760.81 - pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP (OC1C (OC (N2C = CC (= O) NC2 = O) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C isomeriske smil C (OC [C @@ H] 1 [C @@ H] (op (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 ... -
