CS-0589880
3-(1-Cyano-2-methylpropyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 68433-03-4
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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
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
3-(1-Cyano-2-methyl-propyl)-benzoic Acid
SMILES
CC(C)C(C#N)C1=CC(=CC=C1)C(=O)O
Tpsa
61.09
Logp
2.64798
H Acceptors
2
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 68433-03-4 | 3-(1-Cyano-2-methyl-propyl)-benzoic acid | A2B Chem | -- |
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: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: 3-(1-Cyano-2-methyl-propyl)-benzoic Acid
SMILES: CC(C)C(C#N)C1=CC(=CC=C1)C(=O)O
Tpsa: 61.09
Logp: 2.64798
H Acceptors: 2
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
3-(1-Cyano-2-methyl-propyl)-benzoic Acid
SMILES:
CC(C)C(C#N)C1=CC(=CC=C1)C(=O)O
Tpsa:
61.09
Logp:
2.64798
H Acceptors:
2
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: C₈H₅F₂N
Molecular Weight: 153.13
Synonyms: Benzenamine, 2-ethynyl-4,6-difluoro- (9CI)
SMILES: NC1=C(F)C=C(F)C=C1C#C
Tpsa: 26.02
Logp: 1.5283
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅F₂N
Molecular Weight:
153.13
Synonyms:
Benzenamine, 2-ethynyl-4,6-difluoro- (9CI)
SMILES:
NC1=C(F)C=C(F)C=C1C#C
Tpsa:
26.02
Logp:
1.5283
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈N₄S₂
Molecular Weight: 248.33
Synonyms: 2-amino-4-(methylsulfanyl)-6-(thiophen-2-yl)pyrimidine-5-carbonitrile
SMILES: CSC1=NC(=NC(=C1C#N)C2=CC=CS2)N
Tpsa: 75.59
Logp: 2.38088
H Acceptors: 6
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:
C₁₀H₈N₄S₂
Molecular Weight:
248.33
Synonyms:
2-amino-4-(methylsulfanyl)-6-(thiophen-2-yl)pyrimidine-5-carbonitrile
SMILES:
CSC1=NC(=NC(=C1C#N)C2=CC=CS2)N
Tpsa:
75.59
Logp:
2.38088
H Acceptors:
6
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: C₉H₈N₂O₂S
Molecular Weight: 208.24
Synonyms: 2-Propenenitrile, 3-amino-2-(phenylsulfonyl)-
SMILES: N#CC(S(=O)(C1=CC=CC=C1)=O)=CN
Tpsa: 83.95
Logp: 0.78398
H Acceptors: 4
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:
C₉H₈N₂O₂S
Molecular Weight:
208.24
Synonyms:
2-Propenenitrile, 3-amino-2-(phenylsulfonyl)-
SMILES:
N#CC(S(=O)(C1=CC=CC=C1)=O)=CN
Tpsa:
83.95
Logp:
0.78398
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2