CS-0596958
5-Isopropyl-3-((5-methylisoxazol-3-yl)amino)cyclohex-2-en-1-one
Manufacturer: ChemScene
CAS Number: 1022698-87-8
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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
C₁₃H₁₈N₂O₂
Molecular Weight
234.29
Synonyms
None
SMILES
CC1=CC(=NO1)NC2=CC(=O)CC(C2)C(C)C
Tpsa
55.13
Logp
2.91392
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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: C₁₃H₁₈N₂O₂
Molecular Weight: 234.29
Synonyms: None
SMILES: CC1=CC(=NO1)NC2=CC(=O)CC(C2)C(C)C
Tpsa: 55.13
Logp: 2.91392
H Acceptors: 4
H Donors: 1
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:
C₁₃H₁₈N₂O₂
Molecular Weight:
234.29
Synonyms:
None
SMILES:
CC1=CC(=NO1)NC2=CC(=O)CC(C2)C(C)C
Tpsa:
55.13
Logp:
2.91392
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00798863
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₄S
Molecular Weight: 229.25
Synonyms: None
SMILES: C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O
Tpsa: 78.15
Logp: -0.2781
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD00798863
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₄S
Molecular Weight:
229.25
Synonyms:
None
SMILES:
C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])C=O
Tpsa:
78.15
Logp:
-0.2781
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈ClNO
Molecular Weight: 251.75
Synonyms: None
SMILES: C1CCC(CC1)CCC(=O)C2=CC(=NC=C2)Cl
Tpsa: 29.96
Logp: 4.2782
H Acceptors: 2
H Donors: 0
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:
C₁₄H₁₈ClNO
Molecular Weight:
251.75
Synonyms:
None
SMILES:
C1CCC(CC1)CCC(=O)C2=CC(=NC=C2)Cl
Tpsa:
29.96
Logp:
4.2782
H Acceptors:
2
H Donors:
0
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: C₁₂H₁₂N₂O₃S
Molecular Weight: 264.30
Synonyms: None
SMILES: CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)O
Tpsa: 72.19
Logp: 1.41862
H Acceptors: 5
H Donors: 1
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:
C₁₂H₁₂N₂O₃S
Molecular Weight:
264.30
Synonyms:
None
SMILES:
CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)O
Tpsa:
72.19
Logp:
1.41862
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3