CS-0881887
tert-Butyl (3aR,7aR)-7a-fluoro-1-oxooctahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate
Manufacturer: ChemScene
CAS Number: 2789651-05-2
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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
C₁₂H₁₉FN₂O₃
Molecular Weight
258.29
Synonyms
None
SMILES
O=C(N1CC[C@@]2(F)[C@@](CNC2=O)([H])C1)OC(C)(C)C
Tpsa
58.64
Logp
1.0815
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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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
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: C₁₂H₁₉FN₂O₃
Molecular Weight: 258.29
Synonyms: None
SMILES: O=C(N1CC[C@@]2(F)[C@@](CNC2=O)([H])C1)OC(C)(C)C
Tpsa: 58.64
Logp: 1.0815
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₉FN₂O₃
Molecular Weight:
258.29
Synonyms:
None
SMILES:
O=C(N1CC[C@@]2(F)[C@@](CNC2=O)([H])C1)OC(C)(C)C
Tpsa:
58.64
Logp:
1.0815
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆N₂O₃S
Molecular Weight: 186.19
Synonyms: None
SMILES: O=C(C1=NC(C(NC)=O)=CS1)O
Tpsa: 79.29
Logp: 0.2009
H Acceptors: 4
H Donors: 2
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:
C₆H₆N₂O₃S
Molecular Weight:
186.19
Synonyms:
None
SMILES:
O=C(C1=NC(C(NC)=O)=CS1)O
Tpsa:
79.29
Logp:
0.2009
H Acceptors:
4
H Donors:
2
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: C₁₀H₁₁NO₃
Molecular Weight: 193.20
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC(NC)=O)C=C1
Tpsa: 66.4
Logp: 0.6733
H Acceptors: 2
H Donors: 2
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:
C₁₀H₁₁NO₃
Molecular Weight:
193.20
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC(NC)=O)C=C1
Tpsa:
66.4
Logp:
0.6733
H Acceptors:
2
H Donors:
2
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: C₈H₈ClNO₂
Molecular Weight: 185.61
Synonyms: None
SMILES: O=C(O)C1=CC=C(Cl)C(NC)=C1
Tpsa: 49.33
Logp: 2.0799
H Acceptors: 2
H Donors: 2
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:
C₈H₈ClNO₂
Molecular Weight:
185.61
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(Cl)C(NC)=C1
Tpsa:
49.33
Logp:
2.0799
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2