CS-0548976
3-((4-(2-Cyanoethoxy)but-2-yn-1-yl)dimethylammonio)propane-1-sulfonate
Manufacturer: ChemScene
CAS Number: 272769-93-4
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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
C₁₂H₂₀N₂O₄S
Molecular Weight
288.36
Synonyms
3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
SMILES
C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCCC#N
Tpsa
90.22
Logp
-0.06822
H Acceptors
5
H Donors
0
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 272769-93-4 | 3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate | A2B Chem | -- |
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SAFETY INFORMATION
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: C₁₂H₂₀N₂O₄S
Molecular Weight: 288.36
Synonyms: 3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
SMILES: C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCCC#N
Tpsa: 90.22
Logp: -0.06822
H Acceptors: 5
H Donors: 0
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:
C₁₂H₂₀N₂O₄S
Molecular Weight:
288.36
Synonyms:
3-[4-(2-cyanoethoxy)but-2-ynyl-dimethylazaniumyl]propane-1-sulfonate
SMILES:
C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCCC#N
Tpsa:
90.22
Logp:
-0.06822
H Acceptors:
5
H Donors:
0
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: C₁₆H₂₄BFN₂O₄
Molecular Weight: 338.18
Synonyms: tert-butylN-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)OC(C)(C)C)F
Tpsa: 69.68
Logp: 2.8669
H Acceptors: 5
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:
C₁₆H₂₄BFN₂O₄
Molecular Weight:
338.18
Synonyms:
tert-butylN-[5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
SMILES:
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)OC(C)(C)C)F
Tpsa:
69.68
Logp:
2.8669
H Acceptors:
5
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: C₁₇H₂₄FN₃O₄
Molecular Weight: 353.39
Synonyms: tert-Butyl 4-[(4-fluoro-2-nitrophenylamino)methyl]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=C(C=C2)F)[N+](=O)[O-]
Tpsa: 84.71
Logp: 3.7929
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₄FN₃O₄
Molecular Weight:
353.39
Synonyms:
tert-Butyl 4-[(4-fluoro-2-nitrophenylamino)methyl]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=C(C=C2)F)[N+](=O)[O-]
Tpsa:
84.71
Logp:
3.7929
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₄FN₃O₄
Molecular Weight: 353.39
Synonyms: tert-Butyl 4-[(2-fluoro-6-nitrophenylamino)methyl]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=CC=C2F)[N+](=O)[O-]
Tpsa: 84.71
Logp: 3.7929
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₄FN₃O₄
Molecular Weight:
353.39
Synonyms:
tert-Butyl 4-[(2-fluoro-6-nitrophenylamino)methyl]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=CC=C2F)[N+](=O)[O-]
Tpsa:
84.71
Logp:
3.7929
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4