CS-0614694
tert-Butyl (3S,4S)-3-fluoro-4-(methylamino)piperidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2820190-99-4
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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
C₁₁H₂₁FN₂O₂
Molecular Weight
232.30
Synonyms
None
SMILES
O=C(N1C[C@H](F)[C@@H](NC)CC1)OC(C)(C)C
Tpsa
41.57
Logp
1.5533
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₁H₂₁FN₂O₂
Molecular Weight: 232.30
Synonyms: None
SMILES: O=C(N1C[C@H](F)[C@@H](NC)CC1)OC(C)(C)C
Tpsa: 41.57
Logp: 1.5533
H Acceptors: 3
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:
C₁₁H₂₁FN₂O₂
Molecular Weight:
232.30
Synonyms:
None
SMILES:
O=C(N1C[C@H](F)[C@@H](NC)CC1)OC(C)(C)C
Tpsa:
41.57
Logp:
1.5533
H Acceptors:
3
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: None
Molecular Weight: None
Synonyms: None
SMILES: CC1=CC(C(C2=CC=C([Si](CCC)(CCC)CCC)S2)=C3OC(C4=CC=C(C5=C(C(F)=C(C6=NN(CC(CCCCCCCC)CCCCCC)N=C65)C7=CC=C(C)S7)F)S4)=CC3=C8C9=CC=C([Si](CCC)(CCC)CCC)S9)=C8O1.[n]
Tpsa: 91.99
Logp: 23.6705
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 33
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
None
Molecular Weight:
None
Synonyms:
None
SMILES:
CC1=CC(C(C2=CC=C([Si](CCC)(CCC)CCC)S2)=C3OC(C4=CC=C(C5=C(C(F)=C(C6=NN(CC(CCCCCCCC)CCCCCC)N=C65)C7=CC=C(C)S7)F)S4)=CC3=C8C9=CC=C([Si](CCC)(CCC)CCC)S9)=C8O1.[n]
Tpsa:
91.99
Logp:
23.6705
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
33
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆BClF₂O₂
Molecular Weight: 288.53
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC=C(Cl)C(C(F)F)=C2)O1
Tpsa: 18.46
Logp: 3.5768
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆BClF₂O₂
Molecular Weight:
288.53
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC=C(Cl)C(C(F)F)=C2)O1
Tpsa:
18.46
Logp:
3.5768
H Acceptors:
2
H Donors:
0
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: C₁₀₂H₁₂₆Cl₂N₂O₂S₁₄
Molecular Weight: 1931.92
Synonyms: None
SMILES: O=C1/C(SC(N1CCCCCC)=S)=C/C2=CC=C(C3=C(CCCCCC)C=C(C4=C(CCCCCC)C=C(C(SC5=C(C6=CC(Cl)=C(CC(CCCC)CC)S6)C7=C8SC(C9=CC(CCCCCC)=C(C%10=CC(CCCCCC)=C(C%11=CC=C(/C=C%12SC(N(CCCCCC)C\%12=O)=S)S%11)S%10)S9)=C7)=CC5=C8C%13=CC(Cl)=C(CC(CCCC)CC)S%13)S4)S3)S2
Tpsa: 40.62
Logp: 38.8228
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 52
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀₂H₁₂₆Cl₂N₂O₂S₁₄
Molecular Weight:
1931.92
Synonyms:
None
SMILES:
O=C1/C(SC(N1CCCCCC)=S)=C/C2=CC=C(C3=C(CCCCCC)C=C(C4=C(CCCCCC)C=C(C(SC5=C(C6=CC(Cl)=C(CC(CCCC)CC)S6)C7=C8SC(C9=CC(CCCCCC)=C(C%10=CC(CCCCCC)=C(C%11=CC=C(/C=C%12SC(N(CCCCCC)C\%12=O)=S)S%11)S%10)S9)=C7)=CC5=C8C%13=CC(Cl)=C(CC(CCCC)CC)S%13)S4)S3)S2
Tpsa:
40.62
Logp:
38.8228
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
52