CS-1066543
Methyl 2-(2-cyanoethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Manufacturer: ChemScene
CAS Number: 2814409-27-1
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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
C₈H₉N₃O₃
Molecular Weight
195.18
Synonyms
None
SMILES
N#CCCN1NC(=O)C=C1C(=O)OC
Tpsa
87.88
Logp
-0.12332
H Acceptors
5
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃O₃
Molecular Weight: 195.18
Synonyms: None
SMILES: N#CCCN1NC(=O)C=C1C(=O)OC
Tpsa: 87.88
Logp: -0.12332
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:
C₈H₉N₃O₃
Molecular Weight:
195.18
Synonyms:
None
SMILES:
N#CCCN1NC(=O)C=C1C(=O)OC
Tpsa:
87.88
Logp:
-0.12332
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: C₈H₁₀N₂O₅
Molecular Weight: 214.18
Synonyms: None
SMILES: O=C(O)C1=CC(=O)NN1CC(=O)OCC
Tpsa: 101.39
Logp: -0.5623
H Acceptors: 5
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:
C₈H₁₀N₂O₅
Molecular Weight:
214.18
Synonyms:
None
SMILES:
O=C(O)C1=CC(=O)NN1CC(=O)OCC
Tpsa:
101.39
Logp:
-0.5623
H Acceptors:
5
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: C₁₆H₂₄N₄O₂
Molecular Weight: 304.39
Synonyms: None
SMILES: O=C(NC1=CC=CN2N=CC=C12)N(C)CC(OC(C)(C)C)C
Tpsa: 58.87
Logp: 3.0016
H Acceptors: 4
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:
C₁₆H₂₄N₄O₂
Molecular Weight:
304.39
Synonyms:
None
SMILES:
O=C(NC1=CC=CN2N=CC=C12)N(C)CC(OC(C)(C)C)C
Tpsa:
58.87
Logp:
3.0016
H Acceptors:
4
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: C₈H₁₃IN₂
Molecular Weight: 264.11
Synonyms: None
SMILES: IC1=NN(C=C1CCC)CC
Tpsa: 17.82
Logp: 2.4601
H Acceptors: 2
H Donors: 0
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:
C₈H₁₃IN₂
Molecular Weight:
264.11
Synonyms:
None
SMILES:
IC1=NN(C=C1CCC)CC
Tpsa:
17.82
Logp:
2.4601
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3