CS-0914000
4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzamide
Manufacturer: ChemScene
CAS Number: 658080-74-1
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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
C₂₀H₂₅FN₂O₃
Molecular Weight
360.42
Synonyms
None
SMILES
[C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C(N)=O)C=C1)C2=CC=C(F)C=C2
Tpsa
86.79
Logp
1.9946
H Acceptors
4
H Donors
3
Rotatable Bonds
8
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₀H₂₅FN₂O₃
Molecular Weight: 360.42
Synonyms: None
SMILES: [C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C(N)=O)C=C1)C2=CC=C(F)C=C2
Tpsa: 86.79
Logp: 1.9946
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅FN₂O₃
Molecular Weight:
360.42
Synonyms:
None
SMILES:
[C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C(N)=O)C=C1)C2=CC=C(F)C=C2
Tpsa:
86.79
Logp:
1.9946
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₈N₂O₄
Molecular Weight: 312.40
Synonyms: None
SMILES: O(C(CC)CC)[C@H]1[C@@H](NC(C)=O)[C@H](N)CC(C(OCC)=O)=C1
Tpsa: 90.65
Logp: 1.2854
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₈N₂O₄
Molecular Weight:
312.40
Synonyms:
None
SMILES:
O(C(CC)CC)[C@H]1[C@@H](NC(C)=O)[C@H](N)CC(C(OCC)=O)=C1
Tpsa:
90.65
Logp:
1.2854
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅BrF₂O₂
Molecular Weight: 251.02
Synonyms: None
SMILES: O=CC1=C(Br)C=C(OC)C(F)=C1F
Tpsa: 26.3
Logp: 2.5484
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:
C₈H₅BrF₂O₂
Molecular Weight:
251.02
Synonyms:
None
SMILES:
O=CC1=C(Br)C=C(OC)C(F)=C1F
Tpsa:
26.3
Logp:
2.5484
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: C₃₂H₃₀F₂N₇O₄S+
Molecular Weight: 646.69
Synonyms: None
SMILES: [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(CO)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5
Tpsa: 141.27
Logp: 4.81428
H Acceptors: 10
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₀F₂N₇O₄S+
Molecular Weight:
646.69
Synonyms:
None
SMILES:
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(CO)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5
Tpsa:
141.27
Logp:
4.81428
H Acceptors:
10
H Donors:
2
Rotatable Bonds:
10