CS-0364561
2-(4,5-Dicyano-1H-imidazol-1-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 94512-79-5
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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
C₇H₄N₄O₂
Molecular Weight
176.13
Synonyms
(4,5-dicyano-1H-imidazol-1-yl)acetic acid
SMILES
C(#N)C1=C(C#N)N(CC(=O)O)C=N1
Tpsa
102.7
Logp
-0.28894
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 94512-79-5 | 1H-Imidazole-1-acetic acid, 4,5-dicyano- | A2B Chem | -- |
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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: C₇H₄N₄O₂
Molecular Weight: 176.13
Synonyms: (4,5-dicyano-1H-imidazol-1-yl)acetic acid
SMILES: C(#N)C1=C(C#N)N(CC(=O)O)C=N1
Tpsa: 102.7
Logp: -0.28894
H Acceptors: 5
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:
C₇H₄N₄O₂
Molecular Weight:
176.13
Synonyms:
(4,5-dicyano-1H-imidazol-1-yl)acetic acid
SMILES:
C(#N)C1=C(C#N)N(CC(=O)O)C=N1
Tpsa:
102.7
Logp:
-0.28894
H Acceptors:
5
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: C₁₂H₁₆N₄O
Molecular Weight: 232.28
Synonyms: None
SMILES: CCCC1=NN(C(=O)C1)C2=NC(=CC(=N2)C)C
Tpsa: 58.45
Logp: 1.98624
H Acceptors: 4
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:
C₁₂H₁₆N₄O
Molecular Weight:
232.28
Synonyms:
None
SMILES:
CCCC1=NN(C(=O)C1)C2=NC(=CC(=N2)C)C
Tpsa:
58.45
Logp:
1.98624
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₄O₂
Molecular Weight: 218.21
Synonyms: 2-(4H-1,2,4-triazol-4-yl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
SMILES: O=C1N(N2C=NN=C2)C(C3CC=CCC13)=O
Tpsa: 68.09
Logp: -0.1347
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₄O₂
Molecular Weight:
218.21
Synonyms:
2-(4H-1,2,4-triazol-4-yl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
SMILES:
O=C1N(N2C=NN=C2)C(C3CC=CCC13)=O
Tpsa:
68.09
Logp:
-0.1347
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂ClN₃O
Molecular Weight: 225.67
Synonyms: 2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride
SMILES: CC1=NN(C2=CC=C(C=C2)N)C(=O)C1.Cl
Tpsa: 58.69
Logp: 1.8032
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂ClN₃O
Molecular Weight:
225.67
Synonyms:
2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride
SMILES:
CC1=NN(C2=CC=C(C=C2)N)C(=O)C1.Cl
Tpsa:
58.69
Logp:
1.8032
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1