CS-0652793
Methyl (1S,3aR,4R,4aR,5aS,6S,6aS)-1,2,3,3a,4,4a,5,5a,6,6a-decahydro-4,6-ethenocyclopropa[f]isoindole-1-carboxylate hydrochloride
Manufacturer: ChemScene
CAS Number: 2892293-17-1
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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
C₁₃H₁₈ClNO₂
Molecular Weight
255.74
Synonyms
None
SMILES
COC([C@@H]1[C@@]2([H])[C@]3([H])[C@]4([H])[C@](C4)([H])[C@](C=C3)([H])[C@@]2([H])CN1)=O.Cl
Tpsa
38.33
Logp
1.2373
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: C₁₃H₁₈ClNO₂
Molecular Weight: 255.74
Synonyms: None
SMILES: COC([C@@H]1[C@@]2([H])[C@]3([H])[C@]4([H])[C@](C4)([H])[C@](C=C3)([H])[C@@]2([H])CN1)=O.Cl
Tpsa: 38.33
Logp: 1.2373
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:
C₁₃H₁₈ClNO₂
Molecular Weight:
255.74
Synonyms:
None
SMILES:
COC([C@@H]1[C@@]2([H])[C@]3([H])[C@]4([H])[C@](C4)([H])[C@](C=C3)([H])[C@@]2([H])CN1)=O.Cl
Tpsa:
38.33
Logp:
1.2373
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: C₁₈H₂₅NO₄
Molecular Weight: 319.40
Synonyms: None
SMILES: COC([C@@H]1[C@]2([H])[C@@](CN1C(OC(C)(C)C)=O)([H])[C@@]3([H])[C@@]4([H])[C@@](C4)([H])[C@]2([H])C=C3)=O
Tpsa: 55.84
Logp: 2.463
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:
C₁₈H₂₅NO₄
Molecular Weight:
319.40
Synonyms:
None
SMILES:
COC([C@@H]1[C@]2([H])[C@@](CN1C(OC(C)(C)C)=O)([H])[C@@]3([H])[C@@]4([H])[C@@](C4)([H])[C@]2([H])C=C3)=O
Tpsa:
55.84
Logp:
2.463
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: C₁₁H₁₆FNO₄
Molecular Weight: 245.25
Synonyms: None
SMILES: O=C(N1[C@H](C(OC)=O)C=C(F)C1)OC(C)(C)C
Tpsa: 55.84
Logp: 1.6321
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:
C₁₁H₁₆FNO₄
Molecular Weight:
245.25
Synonyms:
None
SMILES:
O=C(N1[C@H](C(OC)=O)C=C(F)C1)OC(C)(C)C
Tpsa:
55.84
Logp:
1.6321
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁BF₂O₂
Molecular Weight: 258.11
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(/C=C2CCC(F)(F)CC\2)O1
Tpsa: 18.46
Logp: 3.7535
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁BF₂O₂
Molecular Weight:
258.11
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(/C=C2CCC(F)(F)CC\2)O1
Tpsa:
18.46
Logp:
3.7535
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1