CS-0644998
2-(Ethoxycarbonyl)-3,3,4-trimethylpentanoic acid
Manufacturer: ChemScene
CAS Number: 1621321-22-9
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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
C₁₁H₂₀O₄
Molecular Weight
216.27
Synonyms
None
SMILES
CCOC(C(C(C)(C(C)C)C)C(O)=O)=O
Tpsa
63.6
Logp
1.9325
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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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: C₁₁H₂₀O₄
Molecular Weight: 216.27
Synonyms: None
SMILES: CCOC(C(C(C)(C(C)C)C)C(O)=O)=O
Tpsa: 63.6
Logp: 1.9325
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:
C₁₁H₂₀O₄
Molecular Weight:
216.27
Synonyms:
None
SMILES:
CCOC(C(C(C)(C(C)C)C)C(O)=O)=O
Tpsa:
63.6
Logp:
1.9325
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: C₁₃H₂₂N₂O₃
Molecular Weight: 254.33
Synonyms: None
SMILES: COC(C(CC1CC2(NC1=O)CCCCC2)N)=O
Tpsa: 81.42
Logp: 0.7158
H Acceptors: 4
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:
C₁₃H₂₂N₂O₃
Molecular Weight:
254.33
Synonyms:
None
SMILES:
COC(C(CC1CC2(NC1=O)CCCCC2)N)=O
Tpsa:
81.42
Logp:
0.7158
H Acceptors:
4
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: C₁₂H₂₀N₂O₄
Molecular Weight: 256.30
Synonyms: None
SMILES: COC(C(CC1CC2(NC1=O)CCOCC2)N)=O
Tpsa: 90.65
Logp: -0.4379
H Acceptors: 5
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:
C₁₂H₂₀N₂O₄
Molecular Weight:
256.30
Synonyms:
None
SMILES:
COC(C(CC1CC2(NC1=O)CCOCC2)N)=O
Tpsa:
90.65
Logp:
-0.4379
H Acceptors:
5
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: C₁₁H₈F₃NO
Molecular Weight: 227.18
Synonyms: None
SMILES: O=C1N(C)C2=C(C=CC=C2)C(C(F)(F)F)=C1
Tpsa: 22
Logp: 2.5573
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈F₃NO
Molecular Weight:
227.18
Synonyms:
None
SMILES:
O=C1N(C)C2=C(C=CC=C2)C(C(F)(F)F)=C1
Tpsa:
22
Logp:
2.5573
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0