CS-0652739
rel-Methyl (1S,3aR,4S,7R,7aS)-octahydro-1H-4,7-epoxyisoindole-1-carboxylate hydrochloride
Manufacturer: ChemScene
CAS Number: 2892291-98-2
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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
C₁₀H₁₆ClNO₃
Molecular Weight
233.69
Synonyms
None
SMILES
COC([C@@H]1[C@]2([H])[C@@](CN1)([H])[C@@]3([H])O[C@]2([H])CC3)=O.Cl
Tpsa
47.56
Logp
0.3466
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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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: C₁₀H₁₆ClNO₃
Molecular Weight: 233.69
Synonyms: None
SMILES: COC([C@@H]1[C@]2([H])[C@@](CN1)([H])[C@@]3([H])O[C@]2([H])CC3)=O.Cl
Tpsa: 47.56
Logp: 0.3466
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:
C₁₀H₁₆ClNO₃
Molecular Weight:
233.69
Synonyms:
None
SMILES:
COC([C@@H]1[C@]2([H])[C@@](CN1)([H])[C@@]3([H])O[C@]2([H])CC3)=O.Cl
Tpsa:
47.56
Logp:
0.3466
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: C₁₀H₁₅NO₃
Molecular Weight: 197.23
Synonyms: None
SMILES: O=C([C@@H]1NC[C@@]2([H])[C@@](O3)([H])CC[C@@]3([H])[C@@]12[H])OC
Tpsa: 47.56
Logp: -0.0752
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:
C₁₀H₁₅NO₃
Molecular Weight:
197.23
Synonyms:
None
SMILES:
O=C([C@@H]1NC[C@@]2([H])[C@@](O3)([H])CC[C@@]3([H])[C@@]12[H])OC
Tpsa:
47.56
Logp:
-0.0752
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: C₁₄H₂₃NO₄
Molecular Weight: 269.34
Synonyms: None
SMILES: O=C(N1[C@H](C(OC(C)(C)C)=O)C=CC1)OC(C)(C)C
Tpsa: 55.84
Logp: 2.5036
H Acceptors: 4
H Donors: 0
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:
C₁₄H₂₃NO₄
Molecular Weight:
269.34
Synonyms:
None
SMILES:
O=C(N1[C@H](C(OC(C)(C)C)=O)C=CC1)OC(C)(C)C
Tpsa:
55.84
Logp:
2.5036
H Acceptors:
4
H Donors:
0
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: C₈H₈BrNO
Molecular Weight: 214.06
Synonyms: None
SMILES: NC1=CC2=C(COC2)C=C1Br
Tpsa: 35.25
Logp: 2.0615
H Acceptors: 2
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:
C₈H₈BrNO
Molecular Weight:
214.06
Synonyms:
None
SMILES:
NC1=CC2=C(COC2)C=C1Br
Tpsa:
35.25
Logp:
2.0615
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0