CS-0913998
(E)-4-(4-(dimethylamino)-1-(4-fluorophenyl)but-1-en-1-yl)-3- (hydroxymethyl)benzonitrile hydrochloride
Manufacturer: ChemScene
CAS Number: 1370643-23-4
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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
C₂₀H₂₁FN₂O
Molecular Weight
324.39
Synonyms
None
SMILES
C(=C/CCN(C)C)(\C1=C(CO)C=C(C#N)C=C1)/C2=CC=C(F)C=C2
Tpsa
47.26
Logp
3.57308
H Acceptors
3
H Donors
1
Rotatable Bonds
6
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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: C₂₀H₂₁FN₂O
Molecular Weight: 324.39
Synonyms: None
SMILES: C(=C/CCN(C)C)(\C1=C(CO)C=C(C#N)C=C1)/C2=CC=C(F)C=C2
Tpsa: 47.26
Logp: 3.57308
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₁FN₂O
Molecular Weight:
324.39
Synonyms:
None
SMILES:
C(=C/CCN(C)C)(\C1=C(CO)C=C(C#N)C=C1)/C2=CC=C(F)C=C2
Tpsa:
47.26
Logp:
3.57308
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₃BrFNO₂
Molecular Weight: 396.29
Synonyms: None
SMILES: FC1=CC=C(C=C1)C(O)(C2=CC=C(Br)C=C2CO)CCCN(C)C
Tpsa: 43.7
Logp: 3.6582
H Acceptors: 3
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:
C₁₉H₂₃BrFNO₂
Molecular Weight:
396.29
Synonyms:
None
SMILES:
FC1=CC=C(C=C1)C(O)(C2=CC=C(Br)C=C2CO)CCCN(C)C
Tpsa:
43.7
Logp:
3.6582
H Acceptors:
3
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: 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