CS-1003231
Sitagliptin Impurity 129
Manufacturer: ChemScene
CAS Number: 2574290-05-2
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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
C₁₃H₁₁F₃O₃
Molecular Weight
272.22
Synonyms
None
SMILES
O=C1OC(OC(=C1)CC2=CC(F)=C(F)C=C2F)(C)C
Tpsa
35.53
Logp
2.8398
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₁₃H₁₁F₃O₃
Molecular Weight: 272.22
Synonyms: None
SMILES: O=C1OC(OC(=C1)CC2=CC(F)=C(F)C=C2F)(C)C
Tpsa: 35.53
Logp: 2.8398
H Acceptors: 3
H Donors: 0
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:
C₁₃H₁₁F₃O₃
Molecular Weight:
272.22
Synonyms:
None
SMILES:
O=C1OC(OC(=C1)CC2=CC(F)=C(F)C=C2F)(C)C
Tpsa:
35.53
Logp:
2.8398
H Acceptors:
3
H Donors:
0
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: C₁₆H₂₆Cl₃N₃
Molecular Weight: 366.76
Synonyms: 2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile dihydrochloride
SMILES: N#CC(CCN(C)C)(CCN(C)C)C1=CC=C(Cl)C=C1.[H]Cl.[H]Cl
Tpsa: 30.27
Logp: 3.42658
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₆Cl₃N₃
Molecular Weight:
366.76
Synonyms:
2-(4-Chlorophenyl)-4-(dimethylamino)-2-(2-(dimethylamino)ethyl)butanenitrile dihydrochloride
SMILES:
N#CC(CCN(C)C)(CCN(C)C)C1=CC=C(Cl)C=C1.[H]Cl.[H]Cl
Tpsa:
30.27
Logp:
3.42658
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉Cl₂N₃
Molecular Weight: 336.26
Synonyms: None
SMILES: Cl.N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C
Tpsa: 39.92
Logp: 3.91818
H Acceptors: 3
H Donors: 0
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:
C₁₇H₁₉Cl₂N₃
Molecular Weight:
336.26
Synonyms:
None
SMILES:
Cl.N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C
Tpsa:
39.92
Logp:
3.91818
H Acceptors:
3
H Donors:
0
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: C₁₃H₁₅NO₅
Molecular Weight: 265.26
Synonyms: None
SMILES: O=C(O)CC1C(=O)OC(C=2C=CC=C(O)C2)CN1C
Tpsa: 87.07
Logp: 0.7652
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₅NO₅
Molecular Weight:
265.26
Synonyms:
None
SMILES:
O=C(O)CC1C(=O)OC(C=2C=CC=C(O)C2)CN1C
Tpsa:
87.07
Logp:
0.7652
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3