CS-0516545
3-Amino-6-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one
Manufacturer: ChemScene
CAS Number: 337458-69-2
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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
C₉H₈F₃N₃O
Molecular Weight
231.17
Synonyms
None
SMILES
O=C1NC2=C(C=C(C(F)(F)F)C=C2)CN1N
Tpsa
58.36
Logp
1.9266
H Acceptors
2
H Donors
2
Rotatable Bonds
0
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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: C₉H₈F₃N₃O
Molecular Weight: 231.17
Synonyms: None
SMILES: O=C1NC2=C(C=C(C(F)(F)F)C=C2)CN1N
Tpsa: 58.36
Logp: 1.9266
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈F₃N₃O
Molecular Weight:
231.17
Synonyms:
None
SMILES:
O=C1NC2=C(C=C(C(F)(F)F)C=C2)CN1N
Tpsa:
58.36
Logp:
1.9266
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD00274126
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₀ClNO₅
Molecular Weight: 281.73
Synonyms: None
SMILES: OC(CC(C[N+](C)(C)C)OC(CC(C)=O)=O)=O.[Cl-]
Tpsa: 80.67
Logp: -2.9378
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD00274126
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₀ClNO₅
Molecular Weight:
281.73
Synonyms:
None
SMILES:
OC(CC(C[N+](C)(C)C)OC(CC(C)=O)=O)=O.[Cl-]
Tpsa:
80.67
Logp:
-2.9378
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₇ClF₃N₃O
Molecular Weight: 289.64
Synonyms: None
SMILES: N#CC(/C=N/OC)=C/C1=NC=C(C(F)(F)F)C=C1Cl
Tpsa: 58.27
Logp: 3.29298
H Acceptors: 4
H Donors: 0
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:
C₁₁H₇ClF₃N₃O
Molecular Weight:
289.64
Synonyms:
None
SMILES:
N#CC(/C=N/OC)=C/C1=NC=C(C(F)(F)F)C=C1Cl
Tpsa:
58.27
Logp:
3.29298
H Acceptors:
4
H Donors:
0
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: C₁₂H₉F₃N₂O
Molecular Weight: 254.21
Synonyms: 2-[(METHOXYIMINO)METHYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]ACRYLONITRILE
SMILES: N#CC(/C=N/OC)=C\C1=CC=C(C(F)(F)F)C=C1
Tpsa: 45.38
Logp: 3.24458
H Acceptors: 3
H Donors: 0
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:
C₁₂H₉F₃N₂O
Molecular Weight:
254.21
Synonyms:
2-[(METHOXYIMINO)METHYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]ACRYLONITRILE
SMILES:
N#CC(/C=N/OC)=C\C1=CC=C(C(F)(F)F)C=C1
Tpsa:
45.38
Logp:
3.24458
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3