CS-0585638
2-(3-Methylisoxazole-5-carboxamido)butanoic acid
Manufacturer: ChemScene
CAS Number: 1218529-77-1
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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
C₉H₁₂N₂O₄
Molecular Weight
212.20
Synonyms
None
SMILES
O=C(O)C(NC(=O)C=1ON=C(C1)C)CC
Tpsa
92.43
Logp
0.57602
H Acceptors
4
H Donors
2
Rotatable Bonds
4
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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: C₉H₁₂N₂O₄
Molecular Weight: 212.20
Synonyms: None
SMILES: O=C(O)C(NC(=O)C=1ON=C(C1)C)CC
Tpsa: 92.43
Logp: 0.57602
H Acceptors: 4
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:
C₉H₁₂N₂O₄
Molecular Weight:
212.20
Synonyms:
None
SMILES:
O=C(O)C(NC(=O)C=1ON=C(C1)C)CC
Tpsa:
92.43
Logp:
0.57602
H Acceptors:
4
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: C₁₀H₁₂BrNO₂
Molecular Weight: 258.11
Synonyms: None
SMILES: CN(C)C(C1=CC=CC=C1Br)C(=O)O
Tpsa: 40.54
Logp: 2.1364
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:
C₁₀H₁₂BrNO₂
Molecular Weight:
258.11
Synonyms:
None
SMILES:
CN(C)C(C1=CC=CC=C1Br)C(=O)O
Tpsa:
40.54
Logp:
2.1364
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: C₉H₁₅NO₃S
Molecular Weight: 217.29
Synonyms: None
SMILES: O=C(C1N(C(CSC)=O)CCCC1)O
Tpsa: 57.61
Logp: 0.8151
H Acceptors: 3
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:
C₉H₁₅NO₃S
Molecular Weight:
217.29
Synonyms:
None
SMILES:
O=C(C1N(C(CSC)=O)CCCC1)O
Tpsa:
57.61
Logp:
0.8151
H Acceptors:
3
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: COC1=CC=CC=C1C(C(=O)N)N
Tpsa: 78.34
Logp: 0.1803
H Acceptors: 3
H Donors: 2
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
COC1=CC=CC=C1C(C(=O)N)N
Tpsa:
78.34
Logp:
0.1803
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3