CS-1167831
1-(Isoxazol-5-yl)butane-1,4-diol
Manufacturer: ChemScene
CAS Number: 496871-25-1
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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
C₇H₁₁NO₃
Molecular Weight
157.17
Synonyms
None
SMILES
OCCCC(O)C=1ON=CC1
Tpsa
66.49
Logp
0.4805
H Acceptors
4
H Donors
2
Rotatable Bonds
4
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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: C₇H₁₁NO₃
Molecular Weight: 157.17
Synonyms: None
SMILES: OCCCC(O)C=1ON=CC1
Tpsa: 66.49
Logp: 0.4805
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁NO₃
Molecular Weight:
157.17
Synonyms:
None
SMILES:
OCCCC(O)C=1ON=CC1
Tpsa:
66.49
Logp:
0.4805
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
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: FC(F)(F)C1=NOC(=C1N)C
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:
FC(F)(F)C1=NOC(=C1N)C
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: C₁₃H₁₁BrN₄
Molecular Weight: 303.16
Synonyms: None
SMILES: BrC1=CN(C=2N=CN=C(N)C12)CC=3C=CC=CC3
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁BrN₄
Molecular Weight:
303.16
Synonyms:
None
SMILES:
BrC1=CN(C=2N=CN=C(N)C12)CC=3C=CC=CC3
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆F₃N₃
Molecular Weight: 235.25
Synonyms: None
SMILES: FC(F)(F)C1=NN(C=C1CNC)CC(C)C
Tpsa: 29.85
Logp: 2.2773
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆F₃N₃
Molecular Weight:
235.25
Synonyms:
None
SMILES:
FC(F)(F)C1=NN(C=C1CNC)CC(C)C
Tpsa:
29.85
Logp:
2.2773
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4