CS-0914866
Aprepitant Impurity 26
Manufacturer: ChemScene
CAS Number: 2410426-96-7
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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
C₁₄H₁₃F₆NO₃
Molecular Weight
357.25
Synonyms
None
SMILES
[C@@H](O[C@@H]1C(=O)NCCO1)(C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
Tpsa
47.56
Logp
3.2743
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₁₄H₁₃F₆NO₃
Molecular Weight: 357.25
Synonyms: None
SMILES: [C@@H](O[C@@H]1C(=O)NCCO1)(C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
Tpsa: 47.56
Logp: 3.2743
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:
C₁₄H₁₃F₆NO₃
Molecular Weight:
357.25
Synonyms:
None
SMILES:
[C@@H](O[C@@H]1C(=O)NCCO1)(C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2
Tpsa:
47.56
Logp:
3.2743
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: C₁₂H₁₄N₂O₂
Molecular Weight: 218.25
Synonyms: None
SMILES: O=C(OC)C(N)CC1=CC=2C=CC=CC2N1
Tpsa: 68.11
Logp: 1.2107
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:
C₁₂H₁₄N₂O₂
Molecular Weight:
218.25
Synonyms:
None
SMILES:
O=C(OC)C(N)CC1=CC=2C=CC=CC2N1
Tpsa:
68.11
Logp:
1.2107
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: C₂₀H₁₈F₇NO₂
Molecular Weight: 437.35
Synonyms: None
SMILES: O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC(F)=CC=C3
Tpsa: 30.49
Logp: 5.6281
H Acceptors: 3
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:
C₂₀H₁₈F₇NO₂
Molecular Weight:
437.35
Synonyms:
None
SMILES:
O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](NCCO2)C3=CC(F)=CC=C3
Tpsa:
30.49
Logp:
5.6281
H Acceptors:
3
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: C₂₂H₂₄N₂O₅
Molecular Weight: 396.44
Synonyms: None
SMILES: O=C1N(CC=2C=CC=CC2)CCOC1OC3OCCN(C3=O)CC=4C=CC=CC4
Tpsa: 68.31
Logp: 1.7732
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₄N₂O₅
Molecular Weight:
396.44
Synonyms:
None
SMILES:
O=C1N(CC=2C=CC=CC2)CCOC1OC3OCCN(C3=O)CC=4C=CC=CC4
Tpsa:
68.31
Logp:
1.7732
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6