CS-0782931
rel-(3R,4S)-3-Nitro-1-(phenylmethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine
Manufacturer: ChemScene
CAS Number: 2368253-21-6
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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
C₁₈H₁₇F₃N₂O₂
Molecular Weight
350.33
Synonyms
None
SMILES
FC(F)(F)C(C=C1)=CC=C1[C@H](CN(C2)CC3=CC=CC=C3)[C@@H]2[N+]([O-])=O
Tpsa
46.38
Logp
3.9501
H Acceptors
3
H Donors
0
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: C₁₈H₁₇F₃N₂O₂
Molecular Weight: 350.33
Synonyms: None
SMILES: FC(F)(F)C(C=C1)=CC=C1[C@H](CN(C2)CC3=CC=CC=C3)[C@@H]2[N+]([O-])=O
Tpsa: 46.38
Logp: 3.9501
H Acceptors: 3
H Donors: 0
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:
C₁₈H₁₇F₃N₂O₂
Molecular Weight:
350.33
Synonyms:
None
SMILES:
FC(F)(F)C(C=C1)=CC=C1[C@H](CN(C2)CC3=CC=CC=C3)[C@@H]2[N+]([O-])=O
Tpsa:
46.38
Logp:
3.9501
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: RT, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀ClN₃S
Molecular Weight: 215.70
Synonyms: None
SMILES: CN1/C(SC2=CC=CC=C12)=N\N.Cl
Tpsa: 43.31
Logp: 1.436
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
RT, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀ClN₃S
Molecular Weight:
215.70
Synonyms:
None
SMILES:
CN1/C(SC2=CC=CC=C12)=N\N.Cl
Tpsa:
43.31
Logp:
1.436
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆O
Molecular Weight: 140.22
Synonyms: None
SMILES: CC(/C=C/CCCCC)=O
Tpsa: 17.07
Logp: 2.7119
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₆O
Molecular Weight:
140.22
Synonyms:
None
SMILES:
CC(/C=C/CCCCC)=O
Tpsa:
17.07
Logp:
2.7119
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅NO₂S
Molecular Weight: 155.17
Synonyms: None
SMILES: O=C(O)/C=C/C1=CN=CS1
Tpsa: 50.19
Logp: 1.2409
H Acceptors: 3
H Donors: 1
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:
C₆H₅NO₂S
Molecular Weight:
155.17
Synonyms:
None
SMILES:
O=C(O)/C=C/C1=CN=CS1
Tpsa:
50.19
Logp:
1.2409
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2