CS-1004282
Agomelatine Impurity 50
Manufacturer: ChemScene
CAS Number: 59081-65-1
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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
C₁₃H₁₅NO₂
Molecular Weight
217.26
Synonyms
None
SMILES
N#CCC1(O)C2=CC(OC)=CC=C2CCC1
Tpsa
53.25
Logp
2.13278
H Acceptors
3
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 59081-65-1 | | A2B Chem | -- |
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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: C₁₃H₁₅NO₂
Molecular Weight: 217.26
Synonyms: None
SMILES: N#CCC1(O)C2=CC(OC)=CC=C2CCC1
Tpsa: 53.25
Logp: 2.13278
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₅NO₂
Molecular Weight:
217.26
Synonyms:
None
SMILES:
N#CCC1(O)C2=CC(OC)=CC=C2CCC1
Tpsa:
53.25
Logp:
2.13278
H Acceptors:
3
H Donors:
1
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: C₁₉H₁₄Cl₂
Molecular Weight: 313.22
Synonyms: None
SMILES: ClC1=CC=CC(=C1)C(Cl)(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa: 0
Logp: 5.8707
H Acceptors: 0
H Donors: 0
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:
C₁₉H₁₄Cl₂
Molecular Weight:
313.22
Synonyms:
None
SMILES:
ClC1=CC=CC(=C1)C(Cl)(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa:
0
Logp:
5.8707
H Acceptors:
0
H Donors:
0
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: C₄H₆O₂S₂
Molecular Weight: 150.22
Synonyms: None
SMILES: O=C(SSC(=O)C)C
Tpsa: 34.14
Logp: 1.4608
H Acceptors: 4
H Donors: 0
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:
C₄H₆O₂S₂
Molecular Weight:
150.22
Synonyms:
None
SMILES:
O=C(SSC(=O)C)C
Tpsa:
34.14
Logp:
1.4608
H Acceptors:
4
H Donors:
0
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: C₁₄H₁₄ClN
Molecular Weight: 231.72
Synonyms: None
SMILES: N#CC(C1=CC=C(Cl)C=C1)(CC=C)CC=C
Tpsa: 23.79
Logp: 4.25358
H Acceptors: 1
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:
C₁₄H₁₄ClN
Molecular Weight:
231.72
Synonyms:
None
SMILES:
N#CC(C1=CC=C(Cl)C=C1)(CC=C)CC=C
Tpsa:
23.79
Logp:
4.25358
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5