CS-1000744
Nilotinib Impurity 48
Manufacturer: ChemScene
CAS Number: 122228-09-5
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₁₁N₃O₂
Molecular Weight
193.20
Synonyms
None
SMILES
O=C(OC)C1=CC=C(C=C1)NC(=N)N
Tpsa
88.2
Logp
0.77857
H Acceptors
3
H Donors
3
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 122228-09-5 | Benzoic acid, 4-[(aminoiminomethyl)amino]-, methyl ester | A2B Chem | -- |
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁N₃O₂
Molecular Weight: 193.20
Synonyms: None
SMILES: O=C(OC)C1=CC=C(C=C1)NC(=N)N
Tpsa: 88.2
Logp: 0.77857
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁N₃O₂
Molecular Weight:
193.20
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(C=C1)NC(=N)N
Tpsa:
88.2
Logp:
0.77857
H Acceptors:
3
H Donors:
3
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: C₁₇H₂₅NO₄
Molecular Weight: 307.38
Synonyms: None
SMILES: [C@@H](CCC1=CC=CC=C1)(N[C@H](C(OCC)=O)C)C(OCC)=O
Tpsa: 64.63
Logp: 2.0921
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₅NO₄
Molecular Weight:
307.38
Synonyms:
None
SMILES:
[C@@H](CCC1=CC=CC=C1)(N[C@H](C(OCC)=O)C)C(OCC)=O
Tpsa:
64.63
Logp:
2.0921
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₂ClF₂NO₄
Molecular Weight: 532.02
Synonyms: None
SMILES: [C@@H](CN(CC1=CC=CC=C1)C[C@H](O)[C@@]2(OC=3C(CC2)=CC(F)=CC3)[H])(O)[C@]4(OC=5C(CC4)=CC(F)=CC5)[H].Cl
Tpsa: 62.16
Logp: 4.698
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₂ClF₂NO₄
Molecular Weight:
532.02
Synonyms:
None
SMILES:
[C@@H](CN(CC1=CC=CC=C1)C[C@H](O)[C@@]2(OC=3C(CC2)=CC(F)=CC3)[H])(O)[C@]4(OC=5C(CC4)=CC(F)=CC5)[H].Cl
Tpsa:
62.16
Logp:
4.698
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂F₃NO
Molecular Weight: 373.41
Synonyms: None
SMILES: [C@@H](NCCC(O)C1=CC(C(F)(F)F)=CC=C1)(C)C=2C3=C(C=CC2)C=CC=C3
Tpsa: 32.26
Logp: 5.6329
H Acceptors: 2
H Donors: 2
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:
C₂₂H₂₂F₃NO
Molecular Weight:
373.41
Synonyms:
None
SMILES:
[C@@H](NCCC(O)C1=CC(C(F)(F)F)=CC=C1)(C)C=2C3=C(C=CC2)C=CC=C3
Tpsa:
32.26
Logp:
5.6329
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
6