CS-0542042
tert-Butyl 4-(5-ethynylpyridin-2-yl)piperazine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 497915-48-7
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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
C₁₆H₂₁N₃O₂
Molecular Weight
287.36
Synonyms
1-Piperazinecarboxylic acid, 4-(5-ethynyl-2-pyridinyl)-, 1,1-dimethylethyl ester
SMILES
O=C(N1CCN(CC1)C2=NC=C(C=C2)C#C)OC(C)(C)C
Tpsa
45.67
Logp
2.12
H Acceptors
4
H Donors
0
Rotatable Bonds
1
Related Products
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: C₁₆H₂₁N₃O₂
Molecular Weight: 287.36
Synonyms: 1-Piperazinecarboxylic acid, 4-(5-ethynyl-2-pyridinyl)-, 1,1-dimethylethyl ester
SMILES: O=C(N1CCN(CC1)C2=NC=C(C=C2)C#C)OC(C)(C)C
Tpsa: 45.67
Logp: 2.12
H Acceptors: 4
H Donors: 0
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:
C₁₆H₂₁N₃O₂
Molecular Weight:
287.36
Synonyms:
1-Piperazinecarboxylic acid, 4-(5-ethynyl-2-pyridinyl)-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CCN(CC1)C2=NC=C(C=C2)C#C)OC(C)(C)C
Tpsa:
45.67
Logp:
2.12
H Acceptors:
4
H Donors:
0
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: C₁₃H₈F₂N₂O₄
Molecular Weight: 294.21
Synonyms: None
SMILES: O=C1NC(C(N2C(C3=CC=C(C=C3C2=O)F)=O)(CC1)F)=O
Tpsa: 83.55
Logp: 0.5241
H Acceptors: 4
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:
C₁₃H₈F₂N₂O₄
Molecular Weight:
294.21
Synonyms:
None
SMILES:
O=C1NC(C(N2C(C3=CC=C(C=C3C2=O)F)=O)(CC1)F)=O
Tpsa:
83.55
Logp:
0.5241
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD22490577
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅F₂NO₂
Molecular Weight: 197.14
Synonyms: Benzoic acid, 6-cyano-2,3-difluoro-, methyl ester
SMILES: N#CC1=CC=C(C(F)=C1C(OC)=O)F
Tpsa: 50.09
Logp: 1.62308
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD22490577
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅F₂NO₂
Molecular Weight:
197.14
Synonyms:
Benzoic acid, 6-cyano-2,3-difluoro-, methyl ester
SMILES:
N#CC1=CC=C(C(F)=C1C(OC)=O)F
Tpsa:
50.09
Logp:
1.62308
H Acceptors:
3
H Donors:
0
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: C₁₀H₉FO₅
Molecular Weight: 228.17
Synonyms: None
SMILES: O=C(C1=CC=C(C(F)=C1C(OC)=O)O)OC
Tpsa: 72.83
Logp: 1.1045
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:
C₁₀H₉FO₅
Molecular Weight:
228.17
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(F)=C1C(OC)=O)O)OC
Tpsa:
72.83
Logp:
1.1045
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2