CS-0913997
(RS)-N-(chloromethyl)-3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-aminium chloride
Manufacturer: ChemScene
CAS Number: 1248478-42-3
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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
C₂₁H₂₃ClFN₂O+
Molecular Weight
373.87
Synonyms
None
SMILES
C(CC[N+](CCl)(C)C)[C@@]1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Tpsa
33.02
Logp
4.52408
H Acceptors
2
H Donors
0
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1248478-42-3 | | A2B Chem | -- |
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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: C₂₁H₂₃ClFN₂O+
Molecular Weight: 373.87
Synonyms: None
SMILES: C(CC[N+](CCl)(C)C)[C@@]1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Tpsa: 33.02
Logp: 4.52408
H Acceptors: 2
H Donors: 0
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:
C₂₁H₂₃ClFN₂O+
Molecular Weight:
373.87
Synonyms:
None
SMILES:
C(CC[N+](CCl)(C)C)[C@@]1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Tpsa:
33.02
Logp:
4.52408
H Acceptors:
2
H Donors:
0
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:
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