CS-1026233
1-(1,5-Dimethyl-1H-pyrazol-3-yl)butane-1,3-dione
Manufacturer: ChemScene
CAS Number: 1702940-77-9
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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
C₉H₁₂N₂O₂
Molecular Weight
180.20
Synonyms
None
SMILES
O=C(C1=NN(C(=C1)C)C)CC(=O)C
Tpsa
51.96
Logp
0.89032
H Acceptors
4
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(C1=NN(C(=C1)C)C)CC(=O)C
Tpsa: 51.96
Logp: 0.89032
H Acceptors: 4
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(C1=NN(C(=C1)C)C)CC(=O)C
Tpsa:
51.96
Logp:
0.89032
H Acceptors:
4
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: C₉H₁₅NO
Molecular Weight: 153.22
Synonyms: None
SMILES: O=C(C1=CCCCC1)CCN
Tpsa: 43.09
Logp: 1.4047
H Acceptors: 2
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:
C₉H₁₅NO
Molecular Weight:
153.22
Synonyms:
None
SMILES:
O=C(C1=CCCCC1)CCN
Tpsa:
43.09
Logp:
1.4047
H Acceptors:
2
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: C₉H₇N₃O₃
Molecular Weight: 205.17
Synonyms: None
SMILES: O=C(O)C1=NOC(=N1)C=2C=CN=C(C2)C
Tpsa: 89.11
Logp: 1.13822
H Acceptors: 5
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:
C₉H₇N₃O₃
Molecular Weight:
205.17
Synonyms:
None
SMILES:
O=C(O)C1=NOC(=N1)C=2C=CN=C(C2)C
Tpsa:
89.11
Logp:
1.13822
H Acceptors:
5
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: C₆H₈BrN₇
Molecular Weight: 258.08
Synonyms: None
SMILES: BrC1=NC(=NN1CC2=NC=NN2C)N
Tpsa: 87.44
Logp: -0.2004
H Acceptors: 7
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:
C₆H₈BrN₇
Molecular Weight:
258.08
Synonyms:
None
SMILES:
BrC1=NC(=NN1CC2=NC=NN2C)N
Tpsa:
87.44
Logp:
-0.2004
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
2