CS-1004968
3-Oxo-3-[[4-(trifluoromethyl)phenyl]amino]propanoic acid
Manufacturer: ChemScene
CAS Number: 827029-20-9
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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
C₁₀H₈F₃NO₃
Molecular Weight
247.17
Synonyms
None
SMILES
O=C(O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F
Tpsa
66.4
Logp
2.1186
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
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: C₁₀H₈F₃NO₃
Molecular Weight: 247.17
Synonyms: None
SMILES: O=C(O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F
Tpsa: 66.4
Logp: 2.1186
H Acceptors: 2
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:
C₁₀H₈F₃NO₃
Molecular Weight:
247.17
Synonyms:
None
SMILES:
O=C(O)CC(=O)NC1=CC=C(C=C1)C(F)(F)F
Tpsa:
66.4
Logp:
2.1186
H Acceptors:
2
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: C₁₀H₁₉NO₄
Molecular Weight: 217.26
Synonyms: None
SMILES: O=C(O)C(NC(C(=O)OCC)CCC)C
Tpsa: 75.63
Logp: 0.7809
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₉NO₄
Molecular Weight:
217.26
Synonyms:
None
SMILES:
O=C(O)C(NC(C(=O)OCC)CCC)C
Tpsa:
75.63
Logp:
0.7809
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆O₂
Molecular Weight: 240.30
Synonyms: None
SMILES: CC=1C=C2[C@H](CC(O)OC2=CC1)C3=CC=CC=C3
Tpsa: 29.46
Logp: 3.22782
H Acceptors: 2
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:
C₁₆H₁₆O₂
Molecular Weight:
240.30
Synonyms:
None
SMILES:
CC=1C=C2[C@H](CC(O)OC2=CC1)C3=CC=CC=C3
Tpsa:
29.46
Logp:
3.22782
H Acceptors:
2
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: C₁₈H₁₅N₃O₂
Molecular Weight: 305.33
Synonyms: None
SMILES: O=C(OC=1C=CC2=CC(=CC=C2C1)C(=N)N)C3=CC=C(N)C=C3
Tpsa: 102.19
Logp: 2.92527
H Acceptors: 4
H Donors: 3
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:
C₁₈H₁₅N₃O₂
Molecular Weight:
305.33
Synonyms:
None
SMILES:
O=C(OC=1C=CC2=CC(=CC=C2C1)C(=N)N)C3=CC=C(N)C=C3
Tpsa:
102.19
Logp:
2.92527
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
3