CS-1059715
2-(4-(2,4-Dimethoxyphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetonitrile
Manufacturer: ChemScene
CAS Number: 861206-36-2
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Purity
90%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₄N₄O₃
Molecular Weight
274.28
Synonyms
None
SMILES
N#CCN1N=C(N(C1=O)C2=CC=C(OC)C=C2OC)C
Tpsa
82.07
Logp
0.8832
H Acceptors
7
H Donors
0
Rotatable Bonds
4
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₄N₄O₃
Molecular Weight: 274.28
Synonyms: None
SMILES: N#CCN1N=C(N(C1=O)C2=CC=C(OC)C=C2OC)C
Tpsa: 82.07
Logp: 0.8832
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄N₄O₃
Molecular Weight:
274.28
Synonyms:
None
SMILES:
N#CCN1N=C(N(C1=O)C2=CC=C(OC)C=C2OC)C
Tpsa:
82.07
Logp:
0.8832
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂BrNO₃
Molecular Weight: 310.14
Synonyms: None
SMILES: O=C(OC)C1=CC(Br)=C(C=C1OC)N2C=CC=C2
Tpsa: 40.46
Logp: 3.035
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂BrNO₃
Molecular Weight:
310.14
Synonyms:
None
SMILES:
O=C(OC)C1=CC(Br)=C(C=C1OC)N2C=CC=C2
Tpsa:
40.46
Logp:
3.035
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅Br₂N
Molecular Weight: 369.09
Synonyms: None
SMILES: BrC=1C=C(Br)C=2N=C3C(=CC2C1)CCCCCC3
Tpsa: 12.89
Logp: 5.4188
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅Br₂N
Molecular Weight:
369.09
Synonyms:
None
SMILES:
BrC=1C=C(Br)C=2N=C3C(=CC2C1)CCCCCC3
Tpsa:
12.89
Logp:
5.4188
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₉N₃O₂
Molecular Weight: 309.36
Synonyms: None
SMILES: O=C1N(N=C(N1C2=CC=C(C=C2)C)C)CCOC=3C=CC=CC3
Tpsa: 49.05
Logp: 2.72984
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉N₃O₂
Molecular Weight:
309.36
Synonyms:
None
SMILES:
O=C1N(N=C(N1C2=CC=C(C=C2)C)C)CCOC=3C=CC=CC3
Tpsa:
49.05
Logp:
2.72984
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5