CS-1001943
Mirabegron Impurity 31
Manufacturer: ChemScene
CAS Number: 1684452-87-6
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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
C₁₆H₁₆N₂O₄
Molecular Weight
300.31
Synonyms
None
SMILES
C(CNC([C@H](O)C1=CC=CC=C1)=O)C2=C(N(=O)=O)C=CC=C2
Tpsa
92.47
Logp
1.9871
H Acceptors
4
H Donors
2
Rotatable Bonds
6
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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: C₁₆H₁₆N₂O₄
Molecular Weight: 300.31
Synonyms: None
SMILES: C(CNC([C@H](O)C1=CC=CC=C1)=O)C2=C(N(=O)=O)C=CC=C2
Tpsa: 92.47
Logp: 1.9871
H Acceptors: 4
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:
C₁₆H₁₆N₂O₄
Molecular Weight:
300.31
Synonyms:
None
SMILES:
C(CNC([C@H](O)C1=CC=CC=C1)=O)C2=C(N(=O)=O)C=CC=C2
Tpsa:
92.47
Logp:
1.9871
H Acceptors:
4
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: C₂₆H₂₈N₆O₃S₂
Molecular Weight: 536.67
Synonyms: None
SMILES: [C@@H](CN(C(CC1=CSC(N)=N1)=O)CCC2=CC=C(N)C=C2)(OC(CC3=CSC(N)=N3)=O)C4=CC=CC=C4
Tpsa: 150.45
Logp: 3.4872
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₈N₆O₃S₂
Molecular Weight:
536.67
Synonyms:
None
SMILES:
[C@@H](CN(C(CC1=CSC(N)=N1)=O)CCC2=CC=C(N)C=C2)(OC(CC3=CSC(N)=N3)=O)C4=CC=CC=C4
Tpsa:
150.45
Logp:
3.4872
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₅NO₂
Molecular Weight: 169.22
Synonyms: None
SMILES: C(OC)(=O)C1[C@@]2([C@@](C2(C)C)(CN1)[H])[H]
Tpsa: 38.33
Logp: 0.4034
H Acceptors: 3
H Donors: 1
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:
C₉H₁₅NO₂
Molecular Weight:
169.22
Synonyms:
None
SMILES:
C(OC)(=O)C1[C@@]2([C@@](C2(C)C)(CN1)[H])[H]
Tpsa:
38.33
Logp:
0.4034
H Acceptors:
3
H Donors:
1
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: C₁₀H₁₀ClNO
Molecular Weight: 195.65
Synonyms: None
SMILES: O=C1NC2=CC=CC(=C2C1)CCCl
Tpsa: 29.1
Logp: 1.9625
H Acceptors: 1
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:
C₁₀H₁₀ClNO
Molecular Weight:
195.65
Synonyms:
None
SMILES:
O=C1NC2=CC=CC(=C2C1)CCCl
Tpsa:
29.1
Logp:
1.9625
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2