CS-0889387
rel-(1R,3aS,4R,7S,7aR)-Octahydro-1H-4,7-epoxyisoindole-1-carbonitrile
Manufacturer: ChemScene
CAS Number: 2892291-96-0
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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
C₉H₁₂N₂O
Molecular Weight
164.20
Synonyms
None
SMILES
N#C[C@@H]1NC[C@@]2([H])[C@@](O3)([H])CC[C@@]3([H])[C@@]12[H]
Tpsa
45.05
Logp
0.27538
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: C₉H₁₂N₂O
Molecular Weight: 164.20
Synonyms: None
SMILES: N#C[C@@H]1NC[C@@]2([H])[C@@](O3)([H])CC[C@@]3([H])[C@@]12[H]
Tpsa: 45.05
Logp: 0.27538
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:
C₉H₁₂N₂O
Molecular Weight:
164.20
Synonyms:
None
SMILES:
N#C[C@@H]1NC[C@@]2([H])[C@@](O3)([H])CC[C@@]3([H])[C@@]12[H]
Tpsa:
45.05
Logp:
0.27538
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: C₁₂H₁₂O₃
Molecular Weight: 204.22
Synonyms: None
SMILES: O=C([C@@H]1C[C@@]21CCOC3=C2C=CC=C3)O
Tpsa: 46.53
Logp: 1.8114
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:
C₁₂H₁₂O₃
Molecular Weight:
204.22
Synonyms:
None
SMILES:
O=C([C@@H]1C[C@@]21CCOC3=C2C=CC=C3)O
Tpsa:
46.53
Logp:
1.8114
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: C₁₃H₁₉N₅O₅
Molecular Weight: 325.32
Synonyms: None
SMILES: O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1C(N=C2N(NC=N2)C1)=O
Tpsa: 132.69
Logp: -0.2847
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₅O₅
Molecular Weight:
325.32
Synonyms:
None
SMILES:
O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1C(N=C2N(NC=N2)C1)=O
Tpsa:
132.69
Logp:
-0.2847
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₂O₅
Molecular Weight: 298.33
Synonyms: None
SMILES: O=C(O)[C@@H](NC(OC(C)(C)C)=O)C[C@H](C1)C(NC21CC2)=O
Tpsa: 104.73
Logp: 1.0231
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₅
Molecular Weight:
298.33
Synonyms:
None
SMILES:
O=C(O)[C@@H](NC(OC(C)(C)C)=O)C[C@H](C1)C(NC21CC2)=O
Tpsa:
104.73
Logp:
1.0231
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
4