CS-0801694
2-(Tert-butyl) 4-methyl 7-(trifluoromethyl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 625127-60-8
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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
C₁₇H₂₀F₃NO₄
Molecular Weight
359.34
Synonyms
None
SMILES
COC(=O)C1C2C(=CC(=CC=2)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1
Tpsa
55.84
Logp
3.7127
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₁₇H₂₀F₃NO₄
Molecular Weight: 359.34
Synonyms: None
SMILES: COC(=O)C1C2C(=CC(=CC=2)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1
Tpsa: 55.84
Logp: 3.7127
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:
C₁₇H₂₀F₃NO₄
Molecular Weight:
359.34
Synonyms:
None
SMILES:
COC(=O)C1C2C(=CC(=CC=2)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1
Tpsa:
55.84
Logp:
3.7127
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: C₁₂H₁₂F₃NO₂
Molecular Weight: 259.22
Synonyms: None
SMILES: COC(=O)C1C2C(CNC1)=CC(=CC=2)C(F)(F)F
Tpsa: 38.33
Logp: 2.0652
H Acceptors: 3
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:
C₁₂H₁₂F₃NO₂
Molecular Weight:
259.22
Synonyms:
None
SMILES:
COC(=O)C1C2C(CNC1)=CC(=CC=2)C(F)(F)F
Tpsa:
38.33
Logp:
2.0652
H Acceptors:
3
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: C₁₃H₁₀ClFN₂O₃
Molecular Weight: 296.68
Synonyms: None
SMILES: OC(=O)C1C(=O)C2C(=C(Cl)C(N)=C(F)C=2)N(C=1)C3CC3
Tpsa: 85.32
Logp: 2.4093
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₀ClFN₂O₃
Molecular Weight:
296.68
Synonyms:
None
SMILES:
OC(=O)C1C(=O)C2C(=C(Cl)C(N)=C(F)C=2)N(C=1)C3CC3
Tpsa:
85.32
Logp:
2.4093
H Acceptors:
4
H Donors:
2
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: C₅H₁₂ClNO₂
Molecular Weight: 153.61
Synonyms: None
SMILES: Cl.N[C@H]1C[C@H](O)COC1
Tpsa: 55.48
Logp: -0.4833
H Acceptors: 3
H Donors: 2
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:
C₅H₁₂ClNO₂
Molecular Weight:
153.61
Synonyms:
None
SMILES:
Cl.N[C@H]1C[C@H](O)COC1
Tpsa:
55.48
Logp:
-0.4833
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0