CS-0652758
(S)-3,3-Dimethyl-2-(2,2,2-trifluoroacetamido)pent-4-ynoic acid
Manufacturer: ChemScene
CAS Number: 2892290-46-7
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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
C₉H₁₀F₃NO₃
Molecular Weight
237.18
Synonyms
None
SMILES
C#CC(C)(C)[C@H](NC(C(F)(F)F)=O)C(O)=O
Tpsa
66.4
Logp
0.7775
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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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
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: C₉H₁₀F₃NO₃
Molecular Weight: 237.18
Synonyms: None
SMILES: C#CC(C)(C)[C@H](NC(C(F)(F)F)=O)C(O)=O
Tpsa: 66.4
Logp: 0.7775
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:
C₉H₁₀F₃NO₃
Molecular Weight:
237.18
Synonyms:
None
SMILES:
C#CC(C)(C)[C@H](NC(C(F)(F)F)=O)C(O)=O
Tpsa:
66.4
Logp:
0.7775
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: C₁₃H₁₄O₂
Molecular Weight: 202.25
Synonyms: None
SMILES: O=C([C@H]1[C@@]2(CCCC3=C2C=CC=C3)C1)O
Tpsa: 37.3
Logp: 2.3652
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:
C₁₃H₁₄O₂
Molecular Weight:
202.25
Synonyms:
None
SMILES:
O=C([C@H]1[C@@]2(CCCC3=C2C=CC=C3)C1)O
Tpsa:
37.3
Logp:
2.3652
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: C₉H₁₆ClN₃O₂
Molecular Weight: 233.70
Synonyms: None
SMILES: NC([C@@H](N)C[C@@H]1CC2(CC2)NC1=O)=O.Cl
Tpsa: 98.21
Logp: -0.7204
H Acceptors: 3
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:
C₉H₁₆ClN₃O₂
Molecular Weight:
233.70
Synonyms:
None
SMILES:
NC([C@@H](N)C[C@@H]1CC2(CC2)NC1=O)=O.Cl
Tpsa:
98.21
Logp:
-0.7204
H Acceptors:
3
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: C₁₇H₂₃F₂NO₄
Molecular Weight: 343.37
Synonyms: None
SMILES: O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])[C@](C4(F)F)([H])[C@]4([H])[C@]3([H])[C@]12[H])OC
Tpsa: 55.84
Logp: 2.5421
H Acceptors: 4
H Donors: 0
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:
C₁₇H₂₃F₂NO₄
Molecular Weight:
343.37
Synonyms:
None
SMILES:
O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])[C@](C4(F)F)([H])[C@]4([H])[C@]3([H])[C@]12[H])OC
Tpsa:
55.84
Logp:
2.5421
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1