CS-0542236
5-Methyl-4-(trifluoromethyl)isoxazol-3-amine
Manufacturer: ChemScene
CAS Number: 1057339-97-5
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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
C₅H₅F₃N₂O
Molecular Weight
166.10
Synonyms
None
SMILES
CC1=C(C(N)=NO1)C(F)(F)F
Tpsa
52.05
Logp
1.58402
H Acceptors
3
H Donors
1
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: C₅H₅F₃N₂O
Molecular Weight: 166.10
Synonyms: None
SMILES: CC1=C(C(N)=NO1)C(F)(F)F
Tpsa: 52.05
Logp: 1.58402
H Acceptors: 3
H Donors: 1
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:
C₅H₅F₃N₂O
Molecular Weight:
166.10
Synonyms:
None
SMILES:
CC1=C(C(N)=NO1)C(F)(F)F
Tpsa:
52.05
Logp:
1.58402
H Acceptors:
3
H Donors:
1
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: C₇H₁₂ClNO₄S
Molecular Weight: 241.69
Synonyms: Ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate
SMILES: O=C(OCC)[C@H]1N(S(=O)(Cl)=O)CCC1
Tpsa: 63.68
Logp: 0.4975
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:
C₇H₁₂ClNO₄S
Molecular Weight:
241.69
Synonyms:
Ethyl 1-(chlorosulfonyl)pyrrolidine-2-carboxylate
SMILES:
O=C(OCC)[C@H]1N(S(=O)(Cl)=O)CCC1
Tpsa:
63.68
Logp:
0.4975
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: C₉H₆BrNS
Molecular Weight: 240.12
Synonyms: None
SMILES: SC1=CC=NC2=CC=C(Br)C=C12
Tpsa: 12.89
Logp: 3.286
H Acceptors: 2
H Donors: 1
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:
C₉H₆BrNS
Molecular Weight:
240.12
Synonyms:
None
SMILES:
SC1=CC=NC2=CC=C(Br)C=C12
Tpsa:
12.89
Logp:
3.286
H Acceptors:
2
H Donors:
1
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: C₁₇₈H₂₅₂F₃N₄₃O₅₅S
Molecular Weight: 3963.21
Synonyms: None
SMILES: OC(C(F)(F)F)=O.O=C([C@H]1N(CCC1)C([C@H](C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC([C@H]([C@H](O)C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)C([C@H](C(C)C)NC([C@H](CO)NC([C@H](CO)NC([C@H](C)NC([C@@H](NC([C@@H](N)CC(N)=O)=O)CC3=CN=CN3)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(O)=O)CCCCN)=O)=O)CC4=CNC5=CC=CC=C45
Tpsa: 1093.58
Logp: -8.26176
H Acceptors: 36
H Donors: 39
Rotatable Bonds: 84
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇₈H₂₅₂F₃N₄₃O₅₅S
Molecular Weight:
3963.21
Synonyms:
None
SMILES:
OC(C(F)(F)F)=O.O=C([C@H]1N(CCC1)C([C@H](C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](C(C)C)NC([C@H]([C@H](O)C)NC([C@H](CC(C)C)NC([C@H]([C@@H](C)CC)NC([C@H](CCCCN)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@H]2N(CCC2)C([C@H](C(C)C)NC([C@H](CO)NC([C@H](CO)NC([C@H](C)NC([C@@H](NC([C@@H](N)CC(N)=O)=O)CC3=CN=CN3)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(O)=O)CCCCN)=O)=O)CC4=CNC5=CC=CC=C45
Tpsa:
1093.58
Logp:
-8.26176
H Acceptors:
36
H Donors:
39
Rotatable Bonds:
84