CS-0088320
tert-Butyl 2-benzyl-4-(4-(4-(trifluoromethoxy)phenyl)-1H-1,2,3-triazole-1-carbonyl)piperazine-1-carboxylate compound with tert-Butyl 2-benzyl-4-(4-(4-(trifluoromethoxy)phenyl)-2H-1,2,3-triazole-2-carbonyl)piperazine-1-carboxylate 1:1
Manufacturer: ChemScene
CAS Number: None
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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
C₅₂H₅₆F₆N₁₀O₈
Molecular Weight
1063.05
Synonyms
None
SMILES
O=C(N1CC(CC2=CC=CC=C2)N(C(OC(C)(C)C)=O)CC1)N3N=NC(C4=CC=C(OC(F)(F)F)C=C4)=C3.O=C(N5N=C(C6=CC=C(OC(F)(F)F)C=C6)C=N5)N7CCN(C(OC(C)(C)C)=O)C(CC8=CC=CC=C8)C7
Tpsa
179.58
Logp
9.9516
H Acceptors
14
H Donors
0
Rotatable Bonds
8
Other Options
...
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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: C₅₂H₅₆F₆N₁₀O₈
Molecular Weight: 1063.05
Synonyms: None
SMILES: O=C(N1CC(CC2=CC=CC=C2)N(C(OC(C)(C)C)=O)CC1)N3N=NC(C4=CC=C(OC(F)(F)F)C=C4)=C3.O=C(N5N=C(C6=CC=C(OC(F)(F)F)C=C6)C=N5)N7CCN(C(OC(C)(C)C)=O)C(CC8=CC=CC=C8)C7
Tpsa: 179.58
Logp: 9.9516
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₅₆F₆N₁₀O₈
Molecular Weight:
1063.05
Synonyms:
None
SMILES:
O=C(N1CC(CC2=CC=CC=C2)N(C(OC(C)(C)C)=O)CC1)N3N=NC(C4=CC=C(OC(F)(F)F)C=C4)=C3.O=C(N5N=C(C6=CC=C(OC(F)(F)F)C=C6)C=N5)N7CCN(C(OC(C)(C)C)=O)C(CC8=CC=CC=C8)C7
Tpsa:
179.58
Logp:
9.9516
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
8
Purity: 95+%
MDL No: MFCD16628204
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈FNO
Molecular Weight: 153.15
Synonyms: None
SMILES: FC1=CN=C2C(CCCO2)=C1
Tpsa: 22.12
Logp: 1.5457
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
95+%
MDL No:
MFCD16628204
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈FNO
Molecular Weight:
153.15
Synonyms:
None
SMILES:
FC1=CN=C2C(CCCO2)=C1
Tpsa:
22.12
Logp:
1.5457
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 95+%
MDL No: MFCD16628226
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀FNO₂
Molecular Weight: 171.17
Synonyms: None
SMILES: OC1=NC=C(F)C=C1CCCO
Tpsa: 53.35
Logp: 0.8512
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
95+%
MDL No:
MFCD16628226
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀FNO₂
Molecular Weight:
171.17
Synonyms:
None
SMILES:
OC1=NC=C(F)C=C1CCCO
Tpsa:
53.35
Logp:
0.8512
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD03095222
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆FNO
Molecular Weight: 127.12
Synonyms: 3-Pyridinol,2-fluoro-6-methyl-(9CI)
SMILES: CC1=CC=C(O)C(F)=N1
Tpsa: 33.12
Logp: 1.23472
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD03095222
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆FNO
Molecular Weight:
127.12
Synonyms:
3-Pyridinol,2-fluoro-6-methyl-(9CI)
SMILES:
CC1=CC=C(O)C(F)=N1
Tpsa:
33.12
Logp:
1.23472
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0