CS-0527654
rel-(3aS,7aS)-tert-Butyl 7a-(trifluoromethyl)hexahydro-1H-pyrrolo[3,4-c]pyridine-5(6H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2696257-84-6
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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
C₁₃H₂₁F₃N₂O₂
Molecular Weight
294.31
Synonyms
None
SMILES
FC(F)([C@]12[C@](CNC2)([H])CN(CC1)C(OC(C)(C)C)=O)F
Tpsa
41.57
Logp
2.3953
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: C₁₃H₂₁F₃N₂O₂
Molecular Weight: 294.31
Synonyms: None
SMILES: FC(F)([C@]12[C@](CNC2)([H])CN(CC1)C(OC(C)(C)C)=O)F
Tpsa: 41.57
Logp: 2.3953
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:
C₁₃H₂₁F₃N₂O₂
Molecular Weight:
294.31
Synonyms:
None
SMILES:
FC(F)([C@]12[C@](CNC2)([H])CN(CC1)C(OC(C)(C)C)=O)F
Tpsa:
41.57
Logp:
2.3953
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: C₁₃H₂₁NO₅
Molecular Weight: 271.31
Synonyms: None
SMILES: OC([C@@]12[C@@](CCCO2)([H])CN(C1)C(OC(C)(C)C)=O)=O
Tpsa: 76.07
Logp: 1.4871
H Acceptors: 4
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:
C₁₃H₂₁NO₅
Molecular Weight:
271.31
Synonyms:
None
SMILES:
OC([C@@]12[C@@](CCCO2)([H])CN(C1)C(OC(C)(C)C)=O)=O
Tpsa:
76.07
Logp:
1.4871
H Acceptors:
4
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: C₁₄H₂₁F₂NO₄
Molecular Weight: 305.32
Synonyms: None
SMILES: O=C(N1C[C@]2([H])CC(F)(F)CC[C@]2(C(O)=O)C1)OC(C)(C)C
Tpsa: 66.84
Logp: 2.7435
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:
C₁₄H₂₁F₂NO₄
Molecular Weight:
305.32
Synonyms:
None
SMILES:
O=C(N1C[C@]2([H])CC(F)(F)CC[C@]2(C(O)=O)C1)OC(C)(C)C
Tpsa:
66.84
Logp:
2.7435
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: C₁₆H₂₁NO₃
Molecular Weight: 275.34
Synonyms: None
SMILES: O=C([C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])CCCO2)OC
Tpsa: 38.77
Logp: 1.8406
H Acceptors: 4
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:
C₁₆H₂₁NO₃
Molecular Weight:
275.34
Synonyms:
None
SMILES:
O=C([C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])CCCO2)OC
Tpsa:
38.77
Logp:
1.8406
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3