CS-0783089
rel-1,1-Dimethylethyl N-[(3R,4S)-4-(4-fluorophenyl)-1-(phenylmethyl)-3-pyrrolidinyl]carbamate
Manufacturer: ChemScene
CAS Number: 2237224-57-4
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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
C₂₂H₂₇FN₂O₂
Molecular Weight
370.46
Synonyms
None
SMILES
O=C(OC(C)(C)C)N[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1C3=CC=C(F)C=C3
Tpsa
41.57
Logp
4.3184
H Acceptors
3
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇FN₂O₂
Molecular Weight: 370.46
Synonyms: None
SMILES: O=C(OC(C)(C)C)N[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1C3=CC=C(F)C=C3
Tpsa: 41.57
Logp: 4.3184
H Acceptors: 3
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:
C₂₂H₂₇FN₂O₂
Molecular Weight:
370.46
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N[C@H]1CN(CC2=CC=CC=C2)C[C@@H]1C3=CC=C(F)C=C3
Tpsa:
41.57
Logp:
4.3184
H Acceptors:
3
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: C₁₁H₁₂BrNO
Molecular Weight: 254.12
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)Br)/C=C/N(C)C
Tpsa: 20.31
Logp: 2.7071
H Acceptors: 2
H Donors: 0
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:
C₁₁H₁₂BrNO
Molecular Weight:
254.12
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)Br)/C=C/N(C)C
Tpsa:
20.31
Logp:
2.7071
H Acceptors:
2
H Donors:
0
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: C₁₅H₂₁ClN₂O₂
Molecular Weight: 296.79
Synonyms: None
SMILES: O=C(N1C[C@H](N)[C@@H](C2=CC=C(Cl)C=C2)C1)OC(C)(C)C
Tpsa: 55.56
Logp: 3.0016
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:
C₁₅H₂₁ClN₂O₂
Molecular Weight:
296.79
Synonyms:
None
SMILES:
O=C(N1C[C@H](N)[C@@H](C2=CC=C(Cl)C=C2)C1)OC(C)(C)C
Tpsa:
55.56
Logp:
3.0016
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅F₂NO
Molecular Weight: 157.12
Synonyms: None
SMILES: FC1=CC=CC(F)=C1/C=N/O
Tpsa: 32.59
Logp: 1.7729
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅F₂NO
Molecular Weight:
157.12
Synonyms:
None
SMILES:
FC1=CC=CC(F)=C1/C=N/O
Tpsa:
32.59
Logp:
1.7729
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1