CS-M1158
tert-butyl (3aR,4S,6aS)-2-benzyloctahydrocyclopenta[c]pyrrol-4-ylcarbamate compound with tert-butyl (3aS,4R,6aR)-2-benzyloctahydrocyclopenta[c]pyrrol-4-ylcarbamate 1:1
Manufacturer: ChemScene
CAS Number: None
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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
C₃₈H₅₆N₄O₄
Molecular Weight
632.88
Synonyms
None
SMILES
O=C(OC(C)(C)C)N[C@H]1[C@]2([H])CN(CC3=CC=CC=C3)C[C@@]([H])2CC1.O=C(OC(C)(C)C)N[C@@H]4[C@@]5([H])CN(CC6=CC=CC=C6)C[C@]([H])5CC4
Tpsa
83.14
Logp
6.8434
H Acceptors
6
H Donors
2
Rotatable Bonds
6
Other Options
...
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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: C₃₈H₅₆N₄O₄
Molecular Weight: 632.88
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@H]1[C@]2([H])CN(CC3=CC=CC=C3)C[C@@]([H])2CC1.O=C(OC(C)(C)C)N[C@@H]4[C@@]5([H])CN(CC6=CC=CC=C6)C[C@]([H])5CC4
Tpsa: 83.14
Logp: 6.8434
H Acceptors: 6
H Donors: 2
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:
C₃₈H₅₆N₄O₄
Molecular Weight:
632.88
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@H]1[C@]2([H])CN(CC3=CC=CC=C3)C[C@@]([H])2CC1.O=C(OC(C)(C)C)N[C@@H]4[C@@]5([H])CN(CC6=CC=CC=C6)C[C@]([H])5CC4
Tpsa:
83.14
Logp:
6.8434
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
6
Purity: 96%
MDL No: MFCD22124565
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅Cl₂N₃O₃
Molecular Weight: 286.07
Synonyms: Methanone,(2,5-dichlorophenyl)[4-(1H-pyrrol-1-yl)phenyl]
SMILES: ClC1=C(OC2=CC([N+]([O-])=O)=CC=C2)N=C(N=C1)Cl
Tpsa: 78.15
Logp: 3.4839
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
96%
MDL No:
MFCD22124565
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅Cl₂N₃O₃
Molecular Weight:
286.07
Synonyms:
Methanone,(2,5-dichlorophenyl)[4-(1H-pyrrol-1-yl)phenyl]
SMILES:
ClC1=C(OC2=CC([N+]([O-])=O)=CC=C2)N=C(N=C1)Cl
Tpsa:
78.15
Logp:
3.4839
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD16249532
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₇N₃O₃
Molecular Weight: 251.28
Synonyms: 2-methoxy-4-(4-methylpiperazin-1-yl)phenylazinic acid
SMILES: CN(CC1)CCN1C2=CC(OC)=C([N+]([O-])=O)C=C2
Tpsa: 58.85
Logp: 1.3552
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD16249532
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₇N₃O₃
Molecular Weight:
251.28
Synonyms:
2-methoxy-4-(4-methylpiperazin-1-yl)phenylazinic acid
SMILES:
CN(CC1)CCN1C2=CC(OC)=C([N+]([O-])=O)C=C2
Tpsa:
58.85
Logp:
1.3552
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00040924
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀O₄
Molecular Weight: 194.18
Synonyms: Methyl 5-acetylsalicylate
SMILES: O=C(OC)C1=C(O)C=CC(C(C)=O)=C1
Tpsa: 63.6
Logp: 1.3814
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00040924
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O₄
Molecular Weight:
194.18
Synonyms:
Methyl 5-acetylsalicylate
SMILES:
O=C(OC)C1=C(O)C=CC(C(C)=O)=C1
Tpsa:
63.6
Logp:
1.3814
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2