CS-1001337
3-Azetidineacetonitrile, 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 1416785-40-4
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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
C₁₄H₂₂BClN₄O₂
Molecular Weight
324.61
Synonyms
None
SMILES
Cl.N#CCC1(N2N=CC(=C2)B3OC(C)(C)C(O3)(C)C)CNC1
Tpsa
72.1
Logp
0.81628
H Acceptors
6
H Donors
1
Rotatable Bonds
3
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₄H₂₂BClN₄O₂
Molecular Weight: 324.61
Synonyms: None
SMILES: Cl.N#CCC1(N2N=CC(=C2)B3OC(C)(C)C(O3)(C)C)CNC1
Tpsa: 72.1
Logp: 0.81628
H Acceptors: 6
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:
C₁₄H₂₂BClN₄O₂
Molecular Weight:
324.61
Synonyms:
None
SMILES:
Cl.N#CCC1(N2N=CC(=C2)B3OC(C)(C)C(O3)(C)C)CNC1
Tpsa:
72.1
Logp:
0.81628
H Acceptors:
6
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: C₄₀H₅₀N₈O₆
Molecular Weight: 738.88
Synonyms: None
SMILES: C([C@H](NC(OC)=O)[C@@H](C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa: 174.64
Logp: 6.222
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₀N₈O₆
Molecular Weight:
738.88
Synonyms:
None
SMILES:
C([C@H](NC(OC)=O)[C@@H](C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa:
174.64
Logp:
6.222
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₀N₈O₆
Molecular Weight: 738.88
Synonyms: None
SMILES: C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa: 174.64
Logp: 6.222
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₀N₈O₆
Molecular Weight:
738.88
Synonyms:
None
SMILES:
C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa:
174.64
Logp:
6.222
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₄₂N₈O₁₀
Molecular Weight: 962.96
Synonyms: None
SMILES: O=C1OC(=C(O1)COC(=O)C2=CC=CC=3N=C(OCC)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=N6)C=7C=CC=C8N=C(OCC)N(C87)CC=9C=CC(=CC9)C=%10C=CC=CC%10C%11=NOC(=O)N%11)C
Tpsa: 221.56
Logp: 9.88592
H Acceptors: 17
H Donors: 1
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₄₂N₈O₁₀
Molecular Weight:
962.96
Synonyms:
None
SMILES:
O=C1OC(=C(O1)COC(=O)C2=CC=CC=3N=C(OCC)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=N6)C=7C=CC=C8N=C(OCC)N(C87)CC=9C=CC(=CC9)C=%10C=CC=CC%10C%11=NOC(=O)N%11)C
Tpsa:
221.56
Logp:
9.88592
H Acceptors:
17
H Donors:
1
Rotatable Bonds:
16