CS-1002082
Agomelatine Impurity 47
Manufacturer: ChemScene
CAS Number: 178676-71-6
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₇NO
Molecular Weight
203.28
Synonyms
None
SMILES
C(\CN)=C\1/C=2C(=CC=C(OC)C2)CCC1
Tpsa
35.25
Logp
2.3736
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO
Molecular Weight: 203.28
Synonyms: None
SMILES: C(\CN)=C\1/C=2C(=CC=C(OC)C2)CCC1
Tpsa: 35.25
Logp: 2.3736
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO
Molecular Weight:
203.28
Synonyms:
None
SMILES:
C(\CN)=C\1/C=2C(=CC=C(OC)C2)CCC1
Tpsa:
35.25
Logp:
2.3736
H Acceptors:
2
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: C₁₅H₂₁NO₂
Molecular Weight: 247.33
Synonyms: None
SMILES: O=C(NCCC1C2=CC(OC)=CC=C2CCC1)C
Tpsa: 38.33
Logp: 2.6413
H Acceptors: 2
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:
C₁₅H₂₁NO₂
Molecular Weight:
247.33
Synonyms:
None
SMILES:
O=C(NCCC1C2=CC(OC)=CC=C2CCC1)C
Tpsa:
38.33
Logp:
2.6413
H Acceptors:
2
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: C₁₅H₂₁N₃O₄S
Molecular Weight: 339.41
Synonyms: None
SMILES: C(NC([C@H](N)C1=CC=C(O)C=C1)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa: 124.68
Logp: 0.4025
H Acceptors: 6
H Donors: 5
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:
C₁₅H₂₁N₃O₄S
Molecular Weight:
339.41
Synonyms:
None
SMILES:
C(NC([C@H](N)C1=CC=C(O)C=C1)=O)[C@@H]2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa:
124.68
Logp:
0.4025
H Acceptors:
6
H Donors:
5
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: C₉H₁₂BNO₂
Molecular Weight: 177.01
Synonyms: None
SMILES: OB(O)C1=CC=CC2=C1CN(C)C2
Tpsa: 43.7
Logp: -0.6882
H Acceptors: 3
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:
C₉H₁₂BNO₂
Molecular Weight:
177.01
Synonyms:
None
SMILES:
OB(O)C1=CC=CC2=C1CN(C)C2
Tpsa:
43.7
Logp:
-0.6882
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1