CS-0131267
tert-Butyl 4or5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6or4,7-tetrahydro-1H-azepine-1-carboxylate
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₄H₆₀B₂N₂O₈
Molecular Weight
646.47
Synonyms
None
SMILES
O=C(N1CCC(B2OC(C)(C)C(C)(C)O2)=CCC1)OC(C)(C)C.O=C(N3CCCC(B4OC(C)(C)C(C)(C)O4)=CC3)OC(C)(C)C
Tpsa
96
Logp
7.1502
H Acceptors
8
H Donors
0
Rotatable Bonds
2
Other Options
...
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: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₆₀B₂N₂O₈
Molecular Weight: 646.47
Synonyms: None
SMILES: O=C(N1CCC(B2OC(C)(C)C(C)(C)O2)=CCC1)OC(C)(C)C.O=C(N3CCCC(B4OC(C)(C)C(C)(C)O4)=CC3)OC(C)(C)C
Tpsa: 96
Logp: 7.1502
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₆₀B₂N₂O₈
Molecular Weight:
646.47
Synonyms:
None
SMILES:
O=C(N1CCC(B2OC(C)(C)C(C)(C)O2)=CCC1)OC(C)(C)C.O=C(N3CCCC(B4OC(C)(C)C(C)(C)O4)=CC3)OC(C)(C)C
Tpsa:
96
Logp:
7.1502
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD00245737
Storage: 4°C, stored under nitrogen, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClNO₃
Molecular Weight: 213.62
Synonyms: N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
SMILES: O=C(NC1=CC=C(OCO2)C2=C1)CCl
Tpsa: 47.56
Logp: 1.5926
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD00245737
Storage:
4°C, stored under nitrogen, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClNO₃
Molecular Weight:
213.62
Synonyms:
N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
SMILES:
O=C(NC1=CC=C(OCO2)C2=C1)CCl
Tpsa:
47.56
Logp:
1.5926
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD08460377
Storage: -20°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉N₃O
Molecular Weight: 139.16
Synonyms: None
SMILES: NC1=NN=C(OCC)C=C1
Tpsa: 61.03
Logp: 0.4575
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD08460377
Storage:
-20°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₉N₃O
Molecular Weight:
139.16
Synonyms:
None
SMILES:
NC1=NN=C(OCC)C=C1
Tpsa:
61.03
Logp:
0.4575
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈₀H₁₃₅F₃N₂₀O₂₆
Molecular Weight: 1850.04
Synonyms: None
SMILES: O=C(O)C(F)(F)F.O=C(N[C@@H](C)C(NCC(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N1[C@@H](CCC1)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H]2NCCC2
Tpsa: 720.4
Logp: -4.72563
H Acceptors: 24
H Donors: 25
Rotatable Bonds: 55
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈₀H₁₃₅F₃N₂₀O₂₆
Molecular Weight:
1850.04
Synonyms:
None
SMILES:
O=C(O)C(F)(F)F.O=C(N[C@@H](C)C(NCC(N[C@@H](C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N1[C@@H](CCC1)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H]2NCCC2
Tpsa:
720.4
Logp:
-4.72563
H Acceptors:
24
H Donors:
25
Rotatable Bonds:
55