CS-0897866
rel-(1R,3aS,6aR)-tert-Butyl 1-methylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2967616-18-6
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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
C₁₂H₂₂N₂O₂
Molecular Weight
226.32
Synonyms
rel-(1R,3aS,6aR)-Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-1-methyl-, 1,1-dimethylethyl ester
SMILES
O=C(N1[C@H](C)[C@](CNC2)([H])[C@]2([H])C1)OC(C)(C)C
Tpsa
41.57
Logp
1.4612
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₁₂H₂₂N₂O₂
Molecular Weight: 226.32
Synonyms: rel-(1R,3aS,6aR)-Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-1-methyl-, 1,1-dimethylethyl ester
SMILES: O=C(N1[C@H](C)[C@](CNC2)([H])[C@]2([H])C1)OC(C)(C)C
Tpsa: 41.57
Logp: 1.4612
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:
C₁₂H₂₂N₂O₂
Molecular Weight:
226.32
Synonyms:
rel-(1R,3aS,6aR)-Pyrrolo[3,4-c]pyrrole-2(1H)-carboxylic acid, hexahydro-1-methyl-, 1,1-dimethylethyl ester
SMILES:
O=C(N1[C@H](C)[C@](CNC2)([H])[C@]2([H])C1)OC(C)(C)C
Tpsa:
41.57
Logp:
1.4612
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: C₁₀H₆F₃N₃O₄S₂
Molecular Weight: 353.30
Synonyms: None
SMILES: O=S(C(F)(F)F)(OC(C1=C(SC(C)=N1)N2C)=C(C#N)C2=O)=O
Tpsa: 102.05
Logp: 1.4035
H Acceptors: 8
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:
C₁₀H₆F₃N₃O₄S₂
Molecular Weight:
353.30
Synonyms:
None
SMILES:
O=S(C(F)(F)F)(OC(C1=C(SC(C)=N1)N2C)=C(C#N)C2=O)=O
Tpsa:
102.05
Logp:
1.4035
H Acceptors:
8
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(C1=CC(CC2CC2)=NN1C)O
Tpsa: 55.12
Logp: 1.0708
H Acceptors: 3
H Donors: 1
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(C1=CC(CC2CC2)=NN1C)O
Tpsa:
55.12
Logp:
1.0708
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD28625524
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O
Molecular Weight: 164.20
Synonyms: None
SMILES: O=CC1=CN(C2CCC2)N=C1C
Tpsa: 34.89
Logp: 1.72902
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28625524
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₂O
Molecular Weight:
164.20
Synonyms:
None
SMILES:
O=CC1=CN(C2CCC2)N=C1C
Tpsa:
34.89
Logp:
1.72902
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2