CS-1044011
(3R,4S)-1-Benzyl-4-(1-methyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 1955474-03-9
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₂₀ClN₃O₂
Molecular Weight
321.80
Synonyms
None
SMILES
C(O)(=O)[C@@H]1[C@H](CN(CC2=CC=CC=C2)C1)C=3C=NN(C)C3.Cl
Tpsa
58.36
Logp
2.1421
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀ClN₃O₂
Molecular Weight: 321.80
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@H](CN(CC2=CC=CC=C2)C1)C=3C=NN(C)C3.Cl
Tpsa: 58.36
Logp: 2.1421
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀ClN₃O₂
Molecular Weight:
321.80
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@H](CN(CC2=CC=CC=C2)C1)C=3C=NN(C)C3.Cl
Tpsa:
58.36
Logp:
2.1421
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃ClF₃NO₂
Molecular Weight: 235.63
Synonyms: None
SMILES: [C@H](NCC(F)(F)F)(C(C)C)C(O)=O.Cl
Tpsa: 49.33
Logp: 1.6693
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃ClF₃NO₂
Molecular Weight:
235.63
Synonyms:
None
SMILES:
[C@H](NCC(F)(F)F)(C(C)C)C(O)=O.Cl
Tpsa:
49.33
Logp:
1.6693
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₈ClN
Molecular Weight: 211.73
Synonyms: None
SMILES: N[C@@]1([C@@H](CC)C1)C2=CC(C)=CC=C2.Cl
Tpsa: 26.02
Logp: 3.00072
H Acceptors: 1
H Donors: 1
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:
C₁₂H₁₈ClN
Molecular Weight:
211.73
Synonyms:
None
SMILES:
N[C@@]1([C@@H](CC)C1)C2=CC(C)=CC=C2.Cl
Tpsa:
26.02
Logp:
3.00072
H Acceptors:
1
H Donors:
1
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: C₁₃H₁₆ClF₂NO₂
Molecular Weight: 291.72
Synonyms: None
SMILES: C(F)(F)[C@H]1[C@H](C(O)=O)CN(CC2=CC=CC=C2)C1.Cl
Tpsa: 40.54
Logp: 2.5061
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆ClF₂NO₂
Molecular Weight:
291.72
Synonyms:
None
SMILES:
C(F)(F)[C@H]1[C@H](C(O)=O)CN(CC2=CC=CC=C2)C1.Cl
Tpsa:
40.54
Logp:
2.5061
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4