CS-0085615
1-(Azetidin-3-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Manufacturer: ChemScene
CAS Number: 1331786-39-0
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₂₂BN₃O₂
Molecular Weight
263.14
Synonyms
None
SMILES
CC1(C)C(C)(C)OB(C2=CN(CC3CNC3)N=C2)O1
Tpsa
48.31
Logp
0.4017
H Acceptors
5
H Donors
1
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₂BN₃O₂
Molecular Weight: 263.14
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CN(CC3CNC3)N=C2)O1
Tpsa: 48.31
Logp: 0.4017
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂BN₃O₂
Molecular Weight:
263.14
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CN(CC3CNC3)N=C2)O1
Tpsa:
48.31
Logp:
0.4017
H Acceptors:
5
H Donors:
1
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: C₁₈H₃₁BN₂O₄
Molecular Weight: 350.26
Synonyms: None
SMILES: O=C(N1N=C(CC)C(B2OC(C)(C)C(C)(C)O2)=C1CC)OC(C)(C)C
Tpsa: 62.58
Logp: 3.0903
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:
C₁₈H₃₁BN₂O₄
Molecular Weight:
350.26
Synonyms:
None
SMILES:
O=C(N1N=C(CC)C(B2OC(C)(C)C(C)(C)O2)=C1CC)OC(C)(C)C
Tpsa:
62.58
Logp:
3.0903
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00191497
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₃₄N₈
Molecular Weight: 674.79
Synonyms: None
SMILES: NC1=CC=C(/C2=C3C=CC(/C(C4=CC=C(N)C=C4)=C(N/5)/C=CC5=C(C6=CC=C(N)C=C6)\C7=N/C(C=C7)=C(C8=CC=C(N)C=C8)\C9=CC=C2N9)=N\3)C=C1
Tpsa: 161.44
Logp: 9.8668
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00191497
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₃₄N₈
Molecular Weight:
674.79
Synonyms:
None
SMILES:
NC1=CC=C(/C2=C3C=CC(/C(C4=CC=C(N)C=C4)=C(N/5)/C=CC5=C(C6=CC=C(N)C=C6)\C7=N/C(C=C7)=C(C8=CC=C(N)C=C8)\C9=CC=C2N9)=N\3)C=C1
Tpsa:
161.44
Logp:
9.8668
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD28976702
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₄₀N₂O₁₁
Molecular Weight: 628.67
Synonyms: None
SMILES: O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NCCOCCOCCOCCOCCOCCC(ON4C(CCC4=O)=O)=O
Tpsa: 148.16
Logp: 2.6054
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 21
Purity:
98%
MDL No:
MFCD28976702
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₀N₂O₁₁
Molecular Weight:
628.67
Synonyms:
None
SMILES:
O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)NCCOCCOCCOCCOCCOCCC(ON4C(CCC4=O)=O)=O
Tpsa:
148.16
Logp:
2.6054
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
21