CS-0608762
4-(2,5-Difluorophenyl)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butane-1,3-dione Sitagliptin Impurity
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
C₁₆H₁₃F₅N₄O₂
Molecular Weight
388.29
Synonyms
None
SMILES
FC1=CC(CC(CC(N2CCN3C(C2)=NN=C3C(F)(F)F)=O)=O)=C(F)C=C1
Tpsa
68.09
Logp
2.1192
H Acceptors
5
H Donors
0
Rotatable Bonds
4
Other Options
...
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₆H₁₃F₅N₄O₂
Molecular Weight: 388.29
Synonyms: None
SMILES: FC1=CC(CC(CC(N2CCN3C(C2)=NN=C3C(F)(F)F)=O)=O)=C(F)C=C1
Tpsa: 68.09
Logp: 2.1192
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃F₅N₄O₂
Molecular Weight:
388.29
Synonyms:
None
SMILES:
FC1=CC(CC(CC(N2CCN3C(C2)=NN=C3C(F)(F)F)=O)=O)=C(F)C=C1
Tpsa:
68.09
Logp:
2.1192
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₂₂N₂
Molecular Weight: 170.30
Synonyms: 1-(2,2-dimethylpropyl)-4-piperidinamine
SMILES: NC1CCN(CC(C)(C)C)CC1
Tpsa: 29.26
Logp: 1.4556
H Acceptors: 2
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:
C₁₀H₂₂N₂
Molecular Weight:
170.30
Synonyms:
1-(2,2-dimethylpropyl)-4-piperidinamine
SMILES:
NC1CCN(CC(C)(C)C)CC1
Tpsa:
29.26
Logp:
1.4556
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈Cl₂N₂
Molecular Weight: 203.07
Synonyms: None
SMILES: N#CC1=CC=C(CN)C=C1Cl.Cl
Tpsa: 49.81
Logp: 2.09218
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈Cl₂N₂
Molecular Weight:
203.07
Synonyms:
None
SMILES:
N#CC1=CC=C(CN)C=C1Cl.Cl
Tpsa:
49.81
Logp:
2.09218
H Acceptors:
2
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: C₁₆H₁₃F₅N₄O₂
Molecular Weight: 388.29
Synonyms: None
SMILES: O=C(CC(N1CCN2C(C1)=NN=C2C(F)(F)F)=O)CC3=C(F)C=C(F)C=C3
Tpsa: 68.09
Logp: 2.1192
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃F₅N₄O₂
Molecular Weight:
388.29
Synonyms:
None
SMILES:
O=C(CC(N1CCN2C(C1)=NN=C2C(F)(F)F)=O)CC3=C(F)C=C(F)C=C3
Tpsa:
68.09
Logp:
2.1192
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4