CS-1064224
5-(3-Hydroxy-3-methylbut-1-yn-1-yl)-4-methylnicotinic acid
Manufacturer: ChemScene
CAS Number: 2596639-54-0
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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
C₁₂H₁₃NO₃
Molecular Weight
219.24
Synonyms
None
SMILES
O=C(O)C=1C=NC=C(C#CC(O)(C)C)C1C
Tpsa
70.42
Logp
1.21062
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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: C₁₂H₁₃NO₃
Molecular Weight: 219.24
Synonyms: None
SMILES: O=C(O)C=1C=NC=C(C#CC(O)(C)C)C1C
Tpsa: 70.42
Logp: 1.21062
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₃NO₃
Molecular Weight:
219.24
Synonyms:
None
SMILES:
O=C(O)C=1C=NC=C(C#CC(O)(C)C)C1C
Tpsa:
70.42
Logp:
1.21062
H Acceptors:
3
H Donors:
2
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: C₁₄H₂₄N₂O₃
Molecular Weight: 268.35
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1N=C(C=C1OCC)C(C)CC
Tpsa: 53.35
Logp: 3.5785
H Acceptors: 5
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:
C₁₄H₂₄N₂O₃
Molecular Weight:
268.35
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1N=C(C=C1OCC)C(C)CC
Tpsa:
53.35
Logp:
3.5785
H Acceptors:
5
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: C₁₁H₁₀BrN₃O₂
Molecular Weight: 296.12
Synonyms: None
SMILES: O=C1N=CNC=2NC(Br)=C(C#CCOCC)C12
Tpsa: 70.77
Logp: 1.4017
H Acceptors: 3
H Donors: 2
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:
C₁₁H₁₀BrN₃O₂
Molecular Weight:
296.12
Synonyms:
None
SMILES:
O=C1N=CNC=2NC(Br)=C(C#CCOCC)C12
Tpsa:
70.77
Logp:
1.4017
H Acceptors:
3
H Donors:
2
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: C₁₂H₁₁N₃O₃
Molecular Weight: 245.23
Synonyms: None
SMILES: O=N(=O)C1=CC(C#CC(O)(C)C)=CC=2C=NNC21
Tpsa: 92.05
Logp: 1.5935
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₁N₃O₃
Molecular Weight:
245.23
Synonyms:
None
SMILES:
O=N(=O)C1=CC(C#CC(O)(C)C)=CC=2C=NNC21
Tpsa:
92.05
Logp:
1.5935
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1