CS-1002115
2-Propenamide, 2-cyano-N,N-diethyl-3-[4-hydroxy-3-nitro-5-(sulfooxy)phenyl]-, sodium salt 1:1
Manufacturer: ChemScene
CAS Number: 1798394-91-8
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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
C₁₄H₁₅N₃NaO₈S
Molecular Weight
408.34
Synonyms
None
SMILES
[Na].N#CC(=CC=1C=C(OS(=O)(=O)O)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC
Tpsa
171.07
Logp
0.87658
H Acceptors
8
H Donors
2
Rotatable Bonds
7
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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: C₁₄H₁₅N₃NaO₈S
Molecular Weight: 408.34
Synonyms: None
SMILES: [Na].N#CC(=CC=1C=C(OS(=O)(=O)O)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC
Tpsa: 171.07
Logp: 0.87658
H Acceptors: 8
H Donors: 2
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:
C₁₄H₁₅N₃NaO₈S
Molecular Weight:
408.34
Synonyms:
None
SMILES:
[Na].N#CC(=CC=1C=C(OS(=O)(=O)O)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC
Tpsa:
171.07
Logp:
0.87658
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₁NO₄
Molecular Weight: 325.44
Synonyms: None
SMILES: OCC(OC1=CC=C(C=C1)COCCOC(C)C)CNC(C)C
Tpsa: 59.95
Logp: 2.3659
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 12
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₁NO₄
Molecular Weight:
325.44
Synonyms:
None
SMILES:
OCC(OC1=CC=C(C=C1)COCCOC(C)C)CNC(C)C
Tpsa:
59.95
Logp:
2.3659
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₆O₃
Molecular Weight: 290.40
Synonyms: None
SMILES: O=C(O)C(C)(C)CCCOC1=C(C=CC)C(=CC=C1C)C
Tpsa: 46.53
Logp: 4.60634
H Acceptors: 2
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:
C₁₈H₂₆O₃
Molecular Weight:
290.40
Synonyms:
None
SMILES:
O=C(O)C(C)(C)CCCOC1=C(C=CC)C(=CC=C1C)C
Tpsa:
46.53
Logp:
4.60634
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₂F₄N₄OS
Molecular Weight: 396.36
Synonyms: None
SMILES: N#CC1=CC=C(C=C1C(F)(F)F)NC(=S)NC2=CC=C(C(F)=C2)C(=O)NC
Tpsa: 76.95
Logp: 3.88468
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₂F₄N₄OS
Molecular Weight:
396.36
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1C(F)(F)F)NC(=S)NC2=CC=C(C(F)=C2)C(=O)NC
Tpsa:
76.95
Logp:
3.88468
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3