CS-0652771
Methyl (3'S,3a'S,4'S,7'S,7a'R)-octahydrospiro[cyclopropane-1,5'-[4,7]methanoisoindole]-3'-carboxylate hydrochloridemethyl (3'S,3a'S,4'S,7'S,7a'R)-octahydrospiro[cyclopropane-1,5'-[4,7]methanoisoindole
Manufacturer: ChemScene
CAS Number: 2892292-21-4
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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
C₁₃H₂₀ClNO₂
Molecular Weight
257.76
Synonyms
None
SMILES
COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1)([H])C3)=O.Cl
Tpsa
38.33
Logp
1.6054
H Acceptors
3
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: C₁₃H₂₀ClNO₂
Molecular Weight: 257.76
Synonyms: None
SMILES: COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1)([H])C3)=O.Cl
Tpsa: 38.33
Logp: 1.6054
H Acceptors: 3
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:
C₁₃H₂₀ClNO₂
Molecular Weight:
257.76
Synonyms:
None
SMILES:
COC([C@@H]1[C@@]2([H])[C@@]3([H])C4(CC4)C[C@]([C@@]2([H])CN1)([H])C3)=O.Cl
Tpsa:
38.33
Logp:
1.6054
H Acceptors:
3
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: C₁₆H₂₃F₂NO₄
Molecular Weight: 331.35
Synonyms: None
SMILES: O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])CC(F)(F)[C@]3([H])[C@]12[H])OC
Tpsa: 55.84
Logp: 2.6862
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:
C₁₆H₂₃F₂NO₄
Molecular Weight:
331.35
Synonyms:
None
SMILES:
O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])CC(F)(F)[C@]3([H])[C@]12[H])OC
Tpsa:
55.84
Logp:
2.6862
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: C₁₅H₂₁F₂NO₄
Molecular Weight: 317.33
Synonyms: None
SMILES: O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])CC(F)(F)[C@]3([H])[C@]12[H])O
Tpsa: 66.84
Logp: 2.5978
H Acceptors: 3
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:
C₁₅H₂₁F₂NO₄
Molecular Weight:
317.33
Synonyms:
None
SMILES:
O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@]2([H])[C@](C3)([H])CC(F)(F)[C@]3([H])[C@]12[H])O
Tpsa:
66.84
Logp:
2.5978
H Acceptors:
3
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(OC)[C@@H](NC(OC(C)(C)C)=O)C1(C=C)CCC1
Tpsa: 64.63
Logp: 2.409
H Acceptors: 4
H Donors: 1
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:
C₁₄H₂₃NO₄
Molecular Weight:
269.34
Synonyms:
None
SMILES:
O=C(OC)[C@@H](NC(OC(C)(C)C)=O)C1(C=C)CCC1
Tpsa:
64.63
Logp:
2.409
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4