CS-1001954
Mirabegron Impurity 57
Manufacturer: ChemScene
CAS Number: 168897-09-4
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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
C₁₆H₁₈N₂O
Molecular Weight
254.33
Synonyms
None
SMILES
O=C(NCCC1=CC=C(N)C=C1)CC=2C=CC=CC2
Tpsa
55.12
Logp
2.1702
H Acceptors
2
H Donors
2
Rotatable Bonds
5
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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: C₁₆H₁₈N₂O
Molecular Weight: 254.33
Synonyms: None
SMILES: O=C(NCCC1=CC=C(N)C=C1)CC=2C=CC=CC2
Tpsa: 55.12
Logp: 2.1702
H Acceptors: 2
H Donors: 2
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:
C₁₆H₁₈N₂O
Molecular Weight:
254.33
Synonyms:
None
SMILES:
O=C(NCCC1=CC=C(N)C=C1)CC=2C=CC=CC2
Tpsa:
55.12
Logp:
2.1702
H Acceptors:
2
H Donors:
2
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: C₂₂H₂₃ClO₈
Molecular Weight: 450.87
Synonyms: None
SMILES: O[C@H]1[C@@]2(O[C@@](C(O)=O)(CO2)[C@@H](O)[C@@H]1O)C3=CC(CC4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa: 125.68
Logp: 1.4488
H Acceptors: 7
H Donors: 4
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:
C₂₂H₂₃ClO₈
Molecular Weight:
450.87
Synonyms:
None
SMILES:
O[C@H]1[C@@]2(O[C@@](C(O)=O)(CO2)[C@@H](O)[C@@H]1O)C3=CC(CC4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa:
125.68
Logp:
1.4488
H Acceptors:
7
H Donors:
4
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: C₁₆H₂₁ClO₃
Molecular Weight: 296.79
Synonyms: None
SMILES: O=C(OCC(C1=CC=C(C=C1)C(=O)CCCCl)(C)C)C
Tpsa: 43.37
Logp: 3.729
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁ClO₃
Molecular Weight:
296.79
Synonyms:
None
SMILES:
O=C(OCC(C1=CC=C(C=C1)C(=O)CCCCl)(C)C)C
Tpsa:
43.37
Logp:
3.729
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆ClNO
Molecular Weight: 249.74
Synonyms: None
SMILES: N#CC(C1=CC=C(C=C1)C(=O)CCCCl)(C)C
Tpsa: 40.86
Logp: 3.68948
H Acceptors: 2
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:
C₁₄H₁₆ClNO
Molecular Weight:
249.74
Synonyms:
None
SMILES:
N#CC(C1=CC=C(C=C1)C(=O)CCCCl)(C)C
Tpsa:
40.86
Logp:
3.68948
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
5