CS-0566981
4-(1-Acetamidoethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1082747-35-0
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₃NO₃
Molecular Weight
207.23
Synonyms
None
SMILES
CC(NC(C)=O)C1=CC=C(C(O)=O)C=C1
Tpsa
66.4
Logp
1.5819
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: None
SMILES: CC(NC(C)=O)C1=CC=C(C(O)=O)C=C1
Tpsa: 66.4
Logp: 1.5819
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
None
SMILES:
CC(NC(C)=O)C1=CC=C(C(O)=O)C=C1
Tpsa:
66.4
Logp:
1.5819
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉N₃O₂S
Molecular Weight: 223.25
Synonyms: Methyl(6-sulfanyl-1H-benzimidazol-2-yl)carbamate
SMILES: O=C(OC)NC1=NC2=CC=C(S)C=C2N1
Tpsa: 67.01
Logp: 2.0299
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉N₃O₂S
Molecular Weight:
223.25
Synonyms:
Methyl(6-sulfanyl-1H-benzimidazol-2-yl)carbamate
SMILES:
O=C(OC)NC1=NC2=CC=C(S)C=C2N1
Tpsa:
67.01
Logp:
2.0299
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₉F₄N₅O₃
Molecular Weight: 453.39
Synonyms: None
SMILES: FC1=CC(CN2C(N(C(C=C2N3C[C@@H](CCC3)NC(C(F)(F)F)=O)=O)C)=O)=C(C=C1)C#N
Tpsa: 100.13
Logp: 1.25338
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉F₄N₅O₃
Molecular Weight:
453.39
Synonyms:
None
SMILES:
FC1=CC(CN2C(N(C(C=C2N3C[C@@H](CCC3)NC(C(F)(F)F)=O)=O)C)=O)=C(C=C1)C#N
Tpsa:
100.13
Logp:
1.25338
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂FN₅O₃
Molecular Weight: 399.42
Synonyms: Trelagliptin Impurity 20 HCl
SMILES: O=C(N(C1=O)C)C=C(N2C[C@@H](CCC2)NC(C)=O)N1CC3=C(C=CC(F)=C3)C#N
Tpsa: 100.13
Logp: 0.71098
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂FN₅O₃
Molecular Weight:
399.42
Synonyms:
Trelagliptin Impurity 20 HCl
SMILES:
O=C(N(C1=O)C)C=C(N2C[C@@H](CCC2)NC(C)=O)N1CC3=C(C=CC(F)=C3)C#N
Tpsa:
100.13
Logp:
0.71098
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4