CS-0135520
3-(Cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)cyclobutane-1-carbonitrile
Manufacturer: ChemScene
CAS Number: 1153950-01-6
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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
C₁₆H₂₁BN₄O₂
Molecular Weight
312.17
Synonyms
None
SMILES
N#CCC1(N2N=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC(C#N)C1
Tpsa
83.86
Logp
1.72486
H Acceptors
6
H Donors
0
Rotatable Bonds
3
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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
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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: C₁₆H₂₁BN₄O₂
Molecular Weight: 312.17
Synonyms: None
SMILES: N#CCC1(N2N=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC(C#N)C1
Tpsa: 83.86
Logp: 1.72486
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁BN₄O₂
Molecular Weight:
312.17
Synonyms:
None
SMILES:
N#CCC1(N2N=CC(B3OC(C)(C)C(C)(C)O3)=C2)CC(C#N)C1
Tpsa:
83.86
Logp:
1.72486
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD28129609
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₃BN₂O₃
Molecular Weight: 278.16
Synonyms: 1-[(tetrahydro-3-furanyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES: CC1(C)C(C)(C)OB(C2=CN(CC3COCC3)N=C2)O1
Tpsa: 45.51
Logp: 1.2188
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28129609
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₃BN₂O₃
Molecular Weight:
278.16
Synonyms:
1-[(tetrahydro-3-furanyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILES:
CC1(C)C(C)(C)OB(C2=CN(CC3COCC3)N=C2)O1
Tpsa:
45.51
Logp:
1.2188
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 96%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈BrCl₂N
Molecular Weight: 256.96
Synonyms: None
SMILES: NCC1=CC=C(Cl)C=C1Br.[H]Cl
Tpsa: 26.02
Logp: 2.983
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
96%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈BrCl₂N
Molecular Weight:
256.96
Synonyms:
None
SMILES:
NCC1=CC=C(Cl)C=C1Br.[H]Cl
Tpsa:
26.02
Logp:
2.983
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 95+%
MDL No: MFCD16652443
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅F₄NO
Molecular Weight: 219.14
Synonyms: None
SMILES: N#CCC1=CC=C(C=C1F)OC(F)(F)F
Tpsa: 33.02
Logp: 2.79038
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD16652443
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅F₄NO
Molecular Weight:
219.14
Synonyms:
None
SMILES:
N#CCC1=CC=C(C=C1F)OC(F)(F)F
Tpsa:
33.02
Logp:
2.79038
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2