CS-1005111
Sitagliptin Impurity 80
Manufacturer: ChemScene
CAS Number: 868071-15-2
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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
C₈H₄F₆N₄O₂
Molecular Weight
302.13
Synonyms
None
SMILES
O=C(NN(C(=O)C(F)(F)F)C1=NC=CN=C1)C(F)(F)F
Tpsa
75.19
Logp
0.9654
H Acceptors
4
H Donors
1
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: C₈H₄F₆N₄O₂
Molecular Weight: 302.13
Synonyms: None
SMILES: O=C(NN(C(=O)C(F)(F)F)C1=NC=CN=C1)C(F)(F)F
Tpsa: 75.19
Logp: 0.9654
H Acceptors: 4
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:
C₈H₄F₆N₄O₂
Molecular Weight:
302.13
Synonyms:
None
SMILES:
O=C(NN(C(=O)C(F)(F)F)C1=NC=CN=C1)C(F)(F)F
Tpsa:
75.19
Logp:
0.9654
H Acceptors:
4
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: C₁₇H₁₈N₄O₃
Molecular Weight: 326.35
Synonyms: None
SMILES: O=C1N=C(N)N(C=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)OC)C
Tpsa: 103
Logp: 1.4156
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₈N₄O₃
Molecular Weight:
326.35
Synonyms:
None
SMILES:
O=C1N=C(N)N(C=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)OC)C
Tpsa:
103
Logp:
1.4156
H Acceptors:
6
H Donors:
2
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: C₁₂H₂₁ClN₄O₄
Molecular Weight: 320.77
Synonyms: None
SMILES: [Cl-].O=N(=O)C1=CN=C(N1CC(O)C[N+]2(C)CCOCC2)C
Tpsa: 90.42
Logp: -3.05858
H Acceptors: 6
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:
C₁₂H₂₁ClN₄O₄
Molecular Weight:
320.77
Synonyms:
None
SMILES:
[Cl-].O=N(=O)C1=CN=C(N1CC(O)C[N+]2(C)CCOCC2)C
Tpsa:
90.42
Logp:
-3.05858
H Acceptors:
6
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: C₄H₉ClO₃
Molecular Weight: 140.57
Synonyms: None
SMILES: ClC(CO)C(O)CO
Tpsa: 60.69
Logp: -1.0607
H Acceptors: 3
H Donors: 3
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:
C₄H₉ClO₃
Molecular Weight:
140.57
Synonyms:
None
SMILES:
ClC(CO)C(O)CO
Tpsa:
60.69
Logp:
-1.0607
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3