CS-0870978
3-(4-Chlorobenzyl)azetidine 2,2,2-trifluoroacetate
Manufacturer: ChemScene
CAS Number: 606129-50-4
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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
C₁₂H₁₃ClF₃NO₂
Molecular Weight
295.69
Synonyms
None
SMILES
ClC1=CC=C(CC2CNC2)C=C1.O=C(O)C(F)(F)F
Tpsa
49.33
Logp
2.7352
H Acceptors
2
H Donors
2
Rotatable Bonds
2
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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: C₁₂H₁₃ClF₃NO₂
Molecular Weight: 295.69
Synonyms: None
SMILES: ClC1=CC=C(CC2CNC2)C=C1.O=C(O)C(F)(F)F
Tpsa: 49.33
Logp: 2.7352
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃ClF₃NO₂
Molecular Weight:
295.69
Synonyms:
None
SMILES:
ClC1=CC=C(CC2CNC2)C=C1.O=C(O)C(F)(F)F
Tpsa:
49.33
Logp:
2.7352
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C11H10ClNS
Molecular Weight: 223.72
Synonyms: None
SMILES: CC1=C(CCl)SC(C2=CC=CC=C2)=N1
Tpsa: 12.89
Logp: 3.85732
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C11H10ClNS
Molecular Weight:
223.72
Synonyms:
None
SMILES:
CC1=C(CCl)SC(C2=CC=CC=C2)=N1
Tpsa:
12.89
Logp:
3.85732
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₂
Molecular Weight: 234.29
Synonyms: None
SMILES: C(NC1(CCNC1)C)(=O)OCC2=CC=CC=C2
Tpsa: 50.36
Logp: 1.6648
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₂
Molecular Weight:
234.29
Synonyms:
None
SMILES:
C(NC1(CCNC1)C)(=O)OCC2=CC=CC=C2
Tpsa:
50.36
Logp:
1.6648
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃K₂O₁₀P
Molecular Weight: 354.33
Synonyms: None
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O.O.[K+].[K+]
Tpsa: 194.07
Logp: -11.1851
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃K₂O₁₀P
Molecular Weight:
354.33
Synonyms:
None
SMILES:
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O.O.[K+].[K+]
Tpsa:
194.07
Logp:
-11.1851
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
3