CS-0345375
3-((2-Acetamidoethyl)carbamoyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1156999-96-0
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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
C₁₂H₁₄N₂O₄
Molecular Weight
250.25
Synonyms
None
SMILES
O=C(O)C1=CC=CC(C(NCCNC(C)=O)=O)=C1
Tpsa
95.5
Logp
0.2507
H Acceptors
3
H Donors
3
Rotatable Bonds
5
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: C₁₂H₁₄N₂O₄
Molecular Weight: 250.25
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C(NCCNC(C)=O)=O)=C1
Tpsa: 95.5
Logp: 0.2507
H Acceptors: 3
H Donors: 3
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:
C₁₂H₁₄N₂O₄
Molecular Weight:
250.25
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C(NCCNC(C)=O)=O)=C1
Tpsa:
95.5
Logp:
0.2507
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃NO₄
Molecular Weight: 259.26
Synonyms: 3-methyl-2-(3-methylfuran-2-amido)benzoic acid
SMILES: O=C(O)C1=CC=CC(C)=C1NC(C2=C(C)C=CO2)=O
Tpsa: 79.54
Logp: 2.84694
H Acceptors: 3
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:
C₁₄H₁₃NO₄
Molecular Weight:
259.26
Synonyms:
3-methyl-2-(3-methylfuran-2-amido)benzoic acid
SMILES:
O=C(O)C1=CC=CC(C)=C1NC(C2=C(C)C=CO2)=O
Tpsa:
79.54
Logp:
2.84694
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: C₁₂H₁₅NO₃
Molecular Weight: 221.25
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C)=C1NC(CCC)=O
Tpsa: 66.4
Logp: 2.43182
H Acceptors: 2
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:
C₁₂H₁₅NO₃
Molecular Weight:
221.25
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C)=C1NC(CCC)=O
Tpsa:
66.4
Logp:
2.43182
H Acceptors:
2
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: C₁₃H₈BrFO₂
Molecular Weight: 295.10
Synonyms: None
SMILES: O=C(O)C1=CC=CC(C2=CC(Br)=CC=C2F)=C1
Tpsa: 37.3
Logp: 3.9534
H Acceptors: 1
H Donors: 1
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:
C₁₃H₈BrFO₂
Molecular Weight:
295.10
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(C2=CC(Br)=CC=C2F)=C1
Tpsa:
37.3
Logp:
3.9534
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2