CS-0890285
rel-2-Benzyl 5-(tert-butyl) (3aR,7aR)-hexahydro-2H-pyrrolo[3,4-c]pyridine-2,5(3H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2960994-18-5
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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
C₂₀H₂₈N₂O₄
Molecular Weight
360.45
Synonyms
None
SMILES
O=C(N1C[C@@]2([H])CN(C(OC(C)(C)C)=O)CC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa
59.08
Logp
3.512
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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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: C₂₀H₂₈N₂O₄
Molecular Weight: 360.45
Synonyms: None
SMILES: O=C(N1C[C@@]2([H])CN(C(OC(C)(C)C)=O)CC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa: 59.08
Logp: 3.512
H Acceptors: 4
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:
C₂₀H₂₈N₂O₄
Molecular Weight:
360.45
Synonyms:
None
SMILES:
O=C(N1C[C@@]2([H])CN(C(OC(C)(C)C)=O)CC[C@@]2([H])C1)OCC3=CC=CC=C3
Tpsa:
59.08
Logp:
3.512
H Acceptors:
4
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: C₂₅H₃₅NO₂Si
Molecular Weight: 409.64
Synonyms: None
SMILES: OC[C@H]1CC[C@@]2(CO[Si](C3=CC=CC=C3)(C(C)(C)C)C4=CC=CC=C4)CCCN21
Tpsa: 32.7
Logp: 3.5523
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₅NO₂Si
Molecular Weight:
409.64
Synonyms:
None
SMILES:
OC[C@H]1CC[C@@]2(CO[Si](C3=CC=CC=C3)(C(C)(C)C)C4=CC=CC=C4)CCCN21
Tpsa:
32.7
Logp:
3.5523
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₄ClNO
Molecular Weight: 163.65
Synonyms: None
SMILES: COC12CNCCC1C2.Cl
Tpsa: 21.26
Logp: 0.8066
H Acceptors: 2
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:
C₇H₁₄ClNO
Molecular Weight:
163.65
Synonyms:
None
SMILES:
COC12CNCCC1C2.Cl
Tpsa:
21.26
Logp:
0.8066
H Acceptors:
2
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: C₆H₃Cl₂NO₃
Molecular Weight: 208.00
Synonyms: None
SMILES: O=C(C1=NC(Cl)=C(O)C(Cl)=C1)O
Tpsa: 70.42
Logp: 1.7922
H Acceptors: 3
H Donors: 2
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:
C₆H₃Cl₂NO₃
Molecular Weight:
208.00
Synonyms:
None
SMILES:
O=C(C1=NC(Cl)=C(O)C(Cl)=C1)O
Tpsa:
70.42
Logp:
1.7922
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1