CS-0599830
3-Cyano-N,5-dimethyl-N-phenylisoxazole-4-carboxamide
Manufacturer: ChemScene
CAS Number: 400076-16-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₁N₃O₂
Molecular Weight
241.25
Synonyms
None
SMILES
CC1=C(C(=NO1)C#N)C(=O)N(C)C2=CC=CC=C2
Tpsa
70.13
Logp
2.1313
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁N₃O₂
Molecular Weight: 241.25
Synonyms: None
SMILES: CC1=C(C(=NO1)C#N)C(=O)N(C)C2=CC=CC=C2
Tpsa: 70.13
Logp: 2.1313
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁N₃O₂
Molecular Weight:
241.25
Synonyms:
None
SMILES:
CC1=C(C(=NO1)C#N)C(=O)N(C)C2=CC=CC=C2
Tpsa:
70.13
Logp:
2.1313
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁N₃O₄
Molecular Weight: 285.25
Synonyms: None
SMILES: COC1=CC=CC(=C1)C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-]
Tpsa: 90.42
Logp: 2.8574
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁N₃O₄
Molecular Weight:
285.25
Synonyms:
None
SMILES:
COC1=CC=CC(=C1)C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-]
Tpsa:
90.42
Logp:
2.8574
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃ClF₃N₃
Molecular Weight: 339.74
Synonyms: None
SMILES: CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CN=C(C=C3)Cl
Tpsa: 30.71
Logp: 5.3514
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃ClF₃N₃
Molecular Weight:
339.74
Synonyms:
None
SMILES:
CC(C)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CN=C(C=C3)Cl
Tpsa:
30.71
Logp:
5.3514
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₀N₄
Molecular Weight: 138.17
Synonyms: None
SMILES: CN(C)C1=NN=C(C=C1)N
Tpsa: 55.04
Logp: 0.1248
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₀N₄
Molecular Weight:
138.17
Synonyms:
None
SMILES:
CN(C)C1=NN=C(C=C1)N
Tpsa:
55.04
Logp:
0.1248
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1