CS-0574598
4-(Isonicotinamido)butanoic acid
Manufacturer: ChemScene
CAS Number: 67036-49-1
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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
C₁₀H₁₂N₂O₃
Molecular Weight
208.21
Synonyms
4-(Isonicotinoylamino)butanoic acid
SMILES
C1=CN=CC=C1C(=O)NCCCC(=O)O
Tpsa
79.29
Logp
0.6762
H Acceptors
3
H Donors
2
Rotatable Bonds
5
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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
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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: C₁₀H₁₂N₂O₃
Molecular Weight: 208.21
Synonyms: 4-(Isonicotinoylamino)butanoic acid
SMILES: C1=CN=CC=C1C(=O)NCCCC(=O)O
Tpsa: 79.29
Logp: 0.6762
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₂N₂O₃
Molecular Weight:
208.21
Synonyms:
4-(Isonicotinoylamino)butanoic acid
SMILES:
C1=CN=CC=C1C(=O)NCCCC(=O)O
Tpsa:
79.29
Logp:
0.6762
H Acceptors:
3
H Donors:
2
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: C₁₀H₈Cl₂O₃
Molecular Weight: 247.07
Synonyms: 4-(3,5-Dichlorophenyl)-4-oxobutyric acid
SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)CCC(=O)O
Tpsa: 54.37
Logp: 3.0409
H Acceptors: 2
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:
C₁₀H₈Cl₂O₃
Molecular Weight:
247.07
Synonyms:
4-(3,5-Dichlorophenyl)-4-oxobutyric acid
SMILES:
C1=C(C=C(C=C1Cl)Cl)C(=O)CCC(=O)O
Tpsa:
54.37
Logp:
3.0409
H Acceptors:
2
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: C₁₃H₇BrN₂O₃
Molecular Weight: 319.11
Synonyms: None
SMILES: C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)[N+](=O)[O-])Br
Tpsa: 76.16
Logp: 4.02128
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:
C₁₃H₇BrN₂O₃
Molecular Weight:
319.11
Synonyms:
None
SMILES:
C1=CC(=CC=C1C#N)OC2=C(C=C(C=C2)[N+](=O)[O-])Br
Tpsa:
76.16
Logp:
4.02128
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: C₁₇H₁₄F₄N₂S
Molecular Weight: 354.37
Synonyms: 6-ethyl-2-[(3-fluorobenzyl)sulfanyl]-5-methyl-4-(trifluoromethyl)nicotinonitrile
SMILES: N#CC1=C(SCC2=CC=CC(F)=C2)N=C(CC)C(C)=C1C(F)(F)F
Tpsa: 36.68
Logp: 5.2743
H Acceptors: 3
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:
C₁₇H₁₄F₄N₂S
Molecular Weight:
354.37
Synonyms:
6-ethyl-2-[(3-fluorobenzyl)sulfanyl]-5-methyl-4-(trifluoromethyl)nicotinonitrile
SMILES:
N#CC1=C(SCC2=CC=CC(F)=C2)N=C(CC)C(C)=C1C(F)(F)F
Tpsa:
36.68
Logp:
5.2743
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4