CS-0505556
3-(5-Bromopyridin-2-yl)-3,6-diazabicyclo[3.1.1]Heptane 2,2,2-trifluoroacetate
Manufacturer: ChemScene
CAS Number: 2222757-33-5
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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
C₁₂H₁₃BrF₃N₃O₂
Molecular Weight
368.15
Synonyms
None
SMILES
BrC1=CN=C(N2CC(C3)NC3C2)C=C1.O=C(O)C(F)(F)F
Tpsa
65.46
Logp
2.0279
H Acceptors
4
H Donors
2
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2222757-33-5 | 3-(5-Bromopyridin-2-yl)-3,6-diazabicyclo[3.1.1]Heptane 2,2,2-trifluoroacetate | 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: C₁₂H₁₃BrF₃N₃O₂
Molecular Weight: 368.15
Synonyms: None
SMILES: BrC1=CN=C(N2CC(C3)NC3C2)C=C1.O=C(O)C(F)(F)F
Tpsa: 65.46
Logp: 2.0279
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₃BrF₃N₃O₂
Molecular Weight:
368.15
Synonyms:
None
SMILES:
BrC1=CN=C(N2CC(C3)NC3C2)C=C1.O=C(O)C(F)(F)F
Tpsa:
65.46
Logp:
2.0279
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD19543618
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁BO₄
Molecular Weight: 252.11
Synonyms: 5-(1-Hydroxy-1-methylethyl)furan-2-boronic acid pinacol ester
SMILES: OC(C)(C)C1=CC=C(B2OC(C)(C(C)(C)O2)C)O1
Tpsa: 83.06
Logp: 0.7606
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD19543618
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁BO₄
Molecular Weight:
252.11
Synonyms:
5-(1-Hydroxy-1-methylethyl)furan-2-boronic acid pinacol ester
SMILES:
OC(C)(C)C1=CC=C(B2OC(C)(C(C)(C)O2)C)O1
Tpsa:
83.06
Logp:
0.7606
H Acceptors:
5
H Donors:
3
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: C₁₂H₁₆ClN
Molecular Weight: 209.72
Synonyms: None
SMILES: [H]Cl.C12=C(CNCC2)C=C(C3CC3)C=C1
Tpsa: 12.03
Logp: 2.6315
H Acceptors: 1
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:
C₁₂H₁₆ClN
Molecular Weight:
209.72
Synonyms:
None
SMILES:
[H]Cl.C12=C(CNCC2)C=C(C3CC3)C=C1
Tpsa:
12.03
Logp:
2.6315
H Acceptors:
1
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: C₂₁H₁₈N₂
Molecular Weight: 298.38
Synonyms: None
SMILES: NC1=CC=C2C=CC=CC2=[C@@]1[C@]3=C4C=CC=CC4=CC=C3NC
Tpsa: 38.05
Logp: 5.2839
H Acceptors: 2
H Donors: 2
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:
C₂₁H₁₈N₂
Molecular Weight:
298.38
Synonyms:
None
SMILES:
NC1=CC=C2C=CC=CC2=[C@@]1[C@]3=C4C=CC=CC4=CC=C3NC
Tpsa:
38.05
Logp:
5.2839
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2