CS-1002864
Mirabegron Impurity 80
Manufacturer: ChemScene
CAS Number: 2250470-82-5
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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
C₁₆H₁₆N₂O₃
Molecular Weight
284.31
Synonyms
None
SMILES
O=C(C=1C=CC=CC1)CNCCC2=CC=C(C=C2)N(=O)=O
Tpsa
72.24
Logp
2.6098
H Acceptors
4
H Donors
1
Rotatable Bonds
7
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: C₁₆H₁₆N₂O₃
Molecular Weight: 284.31
Synonyms: None
SMILES: O=C(C=1C=CC=CC1)CNCCC2=CC=C(C=C2)N(=O)=O
Tpsa: 72.24
Logp: 2.6098
H Acceptors: 4
H Donors: 1
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:
C₁₆H₁₆N₂O₃
Molecular Weight:
284.31
Synonyms:
None
SMILES:
O=C(C=1C=CC=CC1)CNCCC2=CC=C(C=C2)N(=O)=O
Tpsa:
72.24
Logp:
2.6098
H Acceptors:
4
H Donors:
1
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: C₁₄H₂₀N₄O₄
Molecular Weight: 308.33
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCN(C=2C=NC=C(C2)N(=O)=O)CC1
Tpsa: 88.81
Logp: 2.0469
H Acceptors: 6
H Donors: 0
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:
C₁₄H₂₀N₄O₄
Molecular Weight:
308.33
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCN(C=2C=NC=C(C2)N(=O)=O)CC1
Tpsa:
88.81
Logp:
2.0469
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₂₂N₂O₃
Molecular Weight: 230.30
Synonyms: None
SMILES: [C@@H](NC(C[C@@H](CCC)CO)=O)(C(N)=O)CC
Tpsa: 92.42
Logp: 0.1652
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 8
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₂₂N₂O₃
Molecular Weight:
230.30
Synonyms:
None
SMILES:
[C@@H](NC(C[C@@H](CCC)CO)=O)(C(N)=O)CC
Tpsa:
92.42
Logp:
0.1652
H Acceptors:
3
H Donors:
3
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: C₈H₁₄O₂
Molecular Weight: 142.20
Synonyms: None
SMILES: O=C1OCC(C1)CCCC
Tpsa: 26.3
Logp: 1.7397
H Acceptors: 2
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:
C₈H₁₄O₂
Molecular Weight:
142.20
Synonyms:
None
SMILES:
O=C1OCC(C1)CCCC
Tpsa:
26.3
Logp:
1.7397
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3