CS-1001731
Agomelatine Impurity 71
Manufacturer: ChemScene
CAS Number: 158365-53-8
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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
C₁₂H₁₁NO
Molecular Weight
185.22
Synonyms
None
SMILES
N#CC1=CCCC=2C=CC(OC)=CC12
Tpsa
33.02
Logp
2.54838
H Acceptors
2
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 158365-53-8 | 3,4-Dihydro-7-methoxy-1-naphthalenecarbonitrile | 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: C₁₂H₁₁NO
Molecular Weight: 185.22
Synonyms: None
SMILES: N#CC1=CCCC=2C=CC(OC)=CC12
Tpsa: 33.02
Logp: 2.54838
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁NO
Molecular Weight:
185.22
Synonyms:
None
SMILES:
N#CC1=CCCC=2C=CC(OC)=CC12
Tpsa:
33.02
Logp:
2.54838
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₈N₂O
Molecular Weight: 100.12
Synonyms: None
SMILES: O=C(N)C=C(N)C
Tpsa: 69.11
Logp: -0.6658
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₈N₂O
Molecular Weight:
100.12
Synonyms:
None
SMILES:
O=C(N)C=C(N)C
Tpsa:
69.11
Logp:
-0.6658
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₇ClN₂O₄
Molecular Weight: 466.96
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C(O)CCCO)C(=C1)C)C=3C=CC=CC3C
Tpsa: 98.66
Logp: 5.26734
H Acceptors: 4
H Donors: 4
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:
C₂₆H₂₇ClN₂O₄
Molecular Weight:
466.96
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C(O)CCCO)C(=C1)C)C=3C=CC=CC3C
Tpsa:
98.66
Logp:
5.26734
H Acceptors:
4
H Donors:
4
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: C₁₀H₁₂O₃
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(O)C1=CC(=CC=C1C)CCO
Tpsa: 57.53
Logp: 1.22802
H Acceptors: 2
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:
C₁₀H₁₂O₃
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(O)C1=CC(=CC=C1C)CCO
Tpsa:
57.53
Logp:
1.22802
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3