CS-0546344
4-Hydroxy-1-isopropyl-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 400081-61-0
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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
C₈H₁₀N₂O₂
Molecular Weight
166.18
Synonyms
1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI)
SMILES
CC(C)N1CC(=C(C1=O)C#N)O
Tpsa
64.33
Logp
0.57268
H Acceptors
3
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₈H₁₀N₂O₂
Molecular Weight: 166.18
Synonyms: 1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI)
SMILES: CC(C)N1CC(=C(C1=O)C#N)O
Tpsa: 64.33
Logp: 0.57268
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀N₂O₂
Molecular Weight:
166.18
Synonyms:
1H-Pyrrole-3-carbonitrile,2,5-dihydro-4-hydroxy-1-(1-methylethyl)-2-oxo-(9CI)
SMILES:
CC(C)N1CC(=C(C1=O)C#N)O
Tpsa:
64.33
Logp:
0.57268
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₀ClF₃N₂O
Molecular Weight: 338.71
Synonyms: None
SMILES: CC(C1=CN(C2=NC=C(C(F)(F)F)C=C2Cl)C3=C1C=CC=C3)=O
Tpsa: 34.89
Logp: 4.9003
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₀ClF₃N₂O
Molecular Weight:
338.71
Synonyms:
None
SMILES:
CC(C1=CN(C2=NC=C(C(F)(F)F)C=C2Cl)C3=C1C=CC=C3)=O
Tpsa:
34.89
Logp:
4.9003
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₀N₂O₂
Molecular Weight: 296.36
Synonyms: None
SMILES: COC1=NC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3
Tpsa: 51.22
Logp: 3.5407
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:
C₁₈H₂₀N₂O₂
Molecular Weight:
296.36
Synonyms:
None
SMILES:
COC1=NC=C(C=C1)NC(=O)C2(CCCC2)C3=CC=CC=C3
Tpsa:
51.22
Logp:
3.5407
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: C₁₅H₁₈N₂OS
Molecular Weight: 274.38
Synonyms: None
SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=NCCS3
Tpsa: 41.46
Logp: 2.7174
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈N₂OS
Molecular Weight:
274.38
Synonyms:
None
SMILES:
C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=NCCS3
Tpsa:
41.46
Logp:
2.7174
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2