CS-1005400
Sitagliptin Impurity 104
Manufacturer: ChemScene
CAS Number: 945261-45-0
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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
C₁₆H₁₇F₄N₅O
Molecular Weight
371.33
Synonyms
None
SMILES
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=CC=C3)N)=O)CC2)=NN1
Tpsa
77.04
Logp
1.7383
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₁₆H₁₇F₄N₅O
Molecular Weight: 371.33
Synonyms: None
SMILES: C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=CC=C3)N)=O)CC2)=NN1
Tpsa: 77.04
Logp: 1.7383
H Acceptors: 5
H Donors: 1
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:
C₁₆H₁₇F₄N₅O
Molecular Weight:
371.33
Synonyms:
None
SMILES:
C(F)(F)(F)C=1N2C(CN(C(C[C@@H](CC3=C(F)C=CC=C3)N)=O)CC2)=NN1
Tpsa:
77.04
Logp:
1.7383
H Acceptors:
5
H Donors:
1
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: C₈H₉NO₃
Molecular Weight: 167.16
Synonyms: None
SMILES: OC=1C=C2NCC(O)C2=CC1O
Tpsa: 72.72
Logp: 0.5567
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉NO₃
Molecular Weight:
167.16
Synonyms:
None
SMILES:
OC=1C=C2NCC(O)C2=CC1O
Tpsa:
72.72
Logp:
0.5567
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁N₃S
Molecular Weight: 169.25
Synonyms: None
SMILES: N#CCC1(CSC(=N)N)CC1
Tpsa: 73.66
Logp: 1.30695
H Acceptors: 3
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:
C₇H₁₁N₃S
Molecular Weight:
169.25
Synonyms:
None
SMILES:
N#CCC1(CSC(=N)N)CC1
Tpsa:
73.66
Logp:
1.30695
H Acceptors:
3
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: C₁₄H₂₀BrNO₃
Molecular Weight: 330.22
Synonyms: None
SMILES: [Br-].O=C(OC1CC[N+](C)(C)C1)C(O)C=2C=CC=CC2
Tpsa: 46.53
Logp: -1.8841
H Acceptors: 3
H Donors: 1
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:
C₁₄H₂₀BrNO₃
Molecular Weight:
330.22
Synonyms:
None
SMILES:
[Br-].O=C(OC1CC[N+](C)(C)C1)C(O)C=2C=CC=CC2
Tpsa:
46.53
Logp:
-1.8841
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3