CS-0577563
3-(Isonicotinamido)-2-methylpropanoic acid
Manufacturer: ChemScene
CAS Number: 1211467-61-6
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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
None
SMILES
O=C(O)C(C)CNC(=O)C=1C=CN=CC1
Tpsa
79.29
Logp
0.5321
H Acceptors
3
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: C₁₀H₁₂N₂O₃
Molecular Weight: 208.21
Synonyms: None
SMILES: O=C(O)C(C)CNC(=O)C=1C=CN=CC1
Tpsa: 79.29
Logp: 0.5321
H Acceptors: 3
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:
C₁₀H₁₂N₂O₃
Molecular Weight:
208.21
Synonyms:
None
SMILES:
O=C(O)C(C)CNC(=O)C=1C=CN=CC1
Tpsa:
79.29
Logp:
0.5321
H Acceptors:
3
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: C₁₁H₁₃NO₄
Molecular Weight: 223.23
Synonyms: None
SMILES: CN(C1=CC=CC=C1)C(=O)COCC(=O)O
Tpsa: 66.84
Logp: 0.7506
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₃NO₄
Molecular Weight:
223.23
Synonyms:
None
SMILES:
CN(C1=CC=CC=C1)C(=O)COCC(=O)O
Tpsa:
66.84
Logp:
0.7506
H Acceptors:
3
H Donors:
1
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: C₇H₆S₂
Molecular Weight: 154.25
Synonyms: Benzenecarbodithioic acid
SMILES: C1=CC=C(C=C1)C(=S)S
Tpsa: 0
Logp: 2.2919
H Acceptors: 1
H Donors: 1
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:
C₇H₆S₂
Molecular Weight:
154.25
Synonyms:
Benzenecarbodithioic acid
SMILES:
C1=CC=C(C=C1)C(=S)S
Tpsa:
0
Logp:
2.2919
H Acceptors:
1
H Donors:
1
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: C₇H₃FN₂O₃
Molecular Weight: 182.11
Synonyms: None
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)F)C#N
Tpsa: 87.16
Logp: 1.31118
H Acceptors: 4
H Donors: 1
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:
C₇H₃FN₂O₃
Molecular Weight:
182.11
Synonyms:
None
SMILES:
C1=C(C=C(C(=C1[N+](=O)[O-])O)F)C#N
Tpsa:
87.16
Logp:
1.31118
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1