CS-1001262
Epinephrine Impurity 4
Manufacturer: ChemScene
CAS Number: 139183-81-6
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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
C₉H₁₃NO₆S
Molecular Weight
263.27
Synonyms
None
SMILES
[C@H](OS(=O)(=O)O)(CNC)C1=CC(O)=C(O)C=C1
Tpsa
116.09
Logp
0.1777
H Acceptors
6
H Donors
4
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: C₉H₁₃NO₆S
Molecular Weight: 263.27
Synonyms: None
SMILES: [C@H](OS(=O)(=O)O)(CNC)C1=CC(O)=C(O)C=C1
Tpsa: 116.09
Logp: 0.1777
H Acceptors: 6
H Donors: 4
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:
C₉H₁₃NO₆S
Molecular Weight:
263.27
Synonyms:
None
SMILES:
[C@H](OS(=O)(=O)O)(CNC)C1=CC(O)=C(O)C=C1
Tpsa:
116.09
Logp:
0.1777
H Acceptors:
6
H Donors:
4
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: C₅₅H₆₉N₉O₂₃S
Molecular Weight: 1256.25
Synonyms: None
SMILES: O=C1N2[C@@]([C@@H](O)[C@@H](C)C2)(C(=O)N[C@H](O)[C@H](O)C[C@H](NC(=O)C3=CC=C(C=C3)C=4C=C(ON4)C5=CC=C(OCCCCC)C=C5)C(=O)N[C@@H](CO)C(=O)N6[C@](C(=O)N[C@@]([C@@H]([C@@H](O)C7=CC(OS(=O)(=O)O)=C(O)C=C7)O)(C(=O)N[C@]1([C@@H](CC(N)=O)O)[H])[H])(C[C@@H](O)C6)[H])[H]
Tpsa: 510.14
Logp: -4.2905
H Acceptors: 23
H Donors: 16
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₅H₆₉N₉O₂₃S
Molecular Weight:
1256.25
Synonyms:
None
SMILES:
O=C1N2[C@@]([C@@H](O)[C@@H](C)C2)(C(=O)N[C@H](O)[C@H](O)C[C@H](NC(=O)C3=CC=C(C=C3)C=4C=C(ON4)C5=CC=C(OCCCCC)C=C5)C(=O)N[C@@H](CO)C(=O)N6[C@](C(=O)N[C@@]([C@@H]([C@@H](O)C7=CC(OS(=O)(=O)O)=C(O)C=C7)O)(C(=O)N[C@]1([C@@H](CC(N)=O)O)[H])[H])(C[C@@H](O)C6)[H])[H]
Tpsa:
510.14
Logp:
-4.2905
H Acceptors:
23
H Donors:
16
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₅Cl₂FIN₃O
Molecular Weight: 542.17
Synonyms: None
SMILES: Cl.FC=1C=CC=CC1COC2=CC=C(C=C2Cl)NC=3N=CN=C4C=CC(I)=CC43
Tpsa: 47.04
Logp: 6.7713
H Acceptors: 4
H Donors: 1
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:
C₂₁H₁₅Cl₂FIN₃O
Molecular Weight:
542.17
Synonyms:
None
SMILES:
Cl.FC=1C=CC=CC1COC2=CC=C(C=C2Cl)NC=3N=CN=C4C=CC(I)=CC43
Tpsa:
47.04
Logp:
6.7713
H Acceptors:
4
H Donors:
1
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: C₂₆H₁₇ClFN₃O₃
Molecular Weight: 473.88
Synonyms: None
SMILES: O=CC=1OC(=CC1)C=2C=CC3=NC=NC(NC4=CC=C(OCC=5C=CC=CC5F)C(Cl)=C4)=C3C2
Tpsa: 77.25
Logp: 6.8174
H Acceptors: 6
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:
C₂₆H₁₇ClFN₃O₃
Molecular Weight:
473.88
Synonyms:
None
SMILES:
O=CC=1OC(=CC1)C=2C=CC3=NC=NC(NC4=CC=C(OCC=5C=CC=CC5F)C(Cl)=C4)=C3C2
Tpsa:
77.25
Logp:
6.8174
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7