CS-0184732
Methyl 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
Manufacturer: ChemScene
CAS Number: 625128-74-7
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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
C₁₂H₁₂F₃NO₂
Molecular Weight
259.22
Synonyms
5-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(trifluoromethyl)-, methyl ester
SMILES
O=C(C1=CC(C(F)(F)F)=CC2=C1CCNC2)OC
Tpsa
38.33
Logp
2.1377
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₁₂H₁₂F₃NO₂
Molecular Weight: 259.22
Synonyms: 5-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(trifluoromethyl)-, methyl ester
SMILES: O=C(C1=CC(C(F)(F)F)=CC2=C1CCNC2)OC
Tpsa: 38.33
Logp: 2.1377
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:
5-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-(trifluoromethyl)-, methyl ester
SMILES:
O=C(C1=CC(C(F)(F)F)=CC2=C1CCNC2)OC
Tpsa:
38.33
Logp:
2.1377
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆F₃NO₂
Molecular Weight: 193.12
Synonyms: Methyl 4-(trifluoroMethyl)-1H-pyrrole-2-carboxylate
SMILES: O=C(C1=CC(C(F)(F)F)=CN1)OC
Tpsa: 42.09
Logp: 1.8201
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆F₃NO₂
Molecular Weight:
193.12
Synonyms:
Methyl 4-(trifluoroMethyl)-1H-pyrrole-2-carboxylate
SMILES:
O=C(C1=CC(C(F)(F)F)=CN1)OC
Tpsa:
42.09
Logp:
1.8201
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇ClN₂O₂
Molecular Weight: 174.58
Synonyms: None
SMILES: O=C(C1=CC(C)=NN=C1)O.[H]Cl
Tpsa: 63.08
Logp: 0.90502
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇ClN₂O₂
Molecular Weight:
174.58
Synonyms:
None
SMILES:
O=C(C1=CC(C)=NN=C1)O.[H]Cl
Tpsa:
63.08
Logp:
0.90502
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: C₉H₉NO₃
Molecular Weight: 179.17
Synonyms: 3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylic acid
SMILES: O=C(C1=CC(CCCO2)=C2C=N1)O
Tpsa: 59.42
Logp: 1.1048
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:
C₉H₉NO₃
Molecular Weight:
179.17
Synonyms:
3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylic acid
SMILES:
O=C(C1=CC(CCCO2)=C2C=N1)O
Tpsa:
59.42
Logp:
1.1048
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1