CS-1036697
1-(1-Methyl-1H-1,2,3-triazol-4-yl)butane-1,3-dione
Manufacturer: ChemScene
CAS Number: 1863448-14-9
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₉N₃O₂
Molecular Weight
167.17
Synonyms
None
SMILES
O=C(C=1N=NN(C1)C)CC(=O)C
Tpsa
64.85
Logp
-0.0231
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉N₃O₂
Molecular Weight: 167.17
Synonyms: None
SMILES: O=C(C=1N=NN(C1)C)CC(=O)C
Tpsa: 64.85
Logp: -0.0231
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉N₃O₂
Molecular Weight:
167.17
Synonyms:
None
SMILES:
O=C(C=1N=NN(C1)C)CC(=O)C
Tpsa:
64.85
Logp:
-0.0231
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄ClN₃O
Molecular Weight: 215.68
Synonyms: None
SMILES: ClC1=CN(N=C1N)COC2CCCC2
Tpsa: 53.07
Logp: 2.0354
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄ClN₃O
Molecular Weight:
215.68
Synonyms:
None
SMILES:
ClC1=CN(N=C1N)COC2CCCC2
Tpsa:
53.07
Logp:
2.0354
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉BrFNO₂S
Molecular Weight: 282.13
Synonyms: None
SMILES: O=S(=O)(NC)C1=CC(F)=C(Br)C=C1C
Tpsa: 46.17
Logp: 1.80472
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉BrFNO₂S
Molecular Weight:
282.13
Synonyms:
None
SMILES:
O=S(=O)(NC)C1=CC(F)=C(Br)C=C1C
Tpsa:
46.17
Logp:
1.80472
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₃S
Molecular Weight: 213.25
Synonyms: None
SMILES: O=S(=O)(NC)C1=CC=C2C(=C1)COC2
Tpsa: 55.4
Logp: 0.6249
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₃S
Molecular Weight:
213.25
Synonyms:
None
SMILES:
O=S(=O)(NC)C1=CC=C2C(=C1)COC2
Tpsa:
55.4
Logp:
0.6249
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2