CS-0913994
(1RS)-1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1, 3-dihydro-2-benzofuran-5-carbonitrile oxalate
Manufacturer: ChemScene
CAS Number: 62498-68-4
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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
C₂₁H₂₁FN₂O₅
Molecular Weight
400.40
Synonyms
None
SMILES
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa
119.65
Logp
2.62638
H Acceptors
5
H Donors
3
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 62498-68-4 | 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, ethanedioate (1:1) | 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: C₂₁H₂₁FN₂O₅
Molecular Weight: 400.40
Synonyms: None
SMILES: N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa: 119.65
Logp: 2.62638
H Acceptors: 5
H Donors: 3
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:
C₂₁H₂₁FN₂O₅
Molecular Weight:
400.40
Synonyms:
None
SMILES:
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCNC.O=C(O)C(=O)O
Tpsa:
119.65
Logp:
2.62638
H Acceptors:
5
H Donors:
3
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: C₂₇H₃₅FN₂O₆
Molecular Weight: 502.58
Synonyms: None
SMILES: O=C(O)C(=O)O.O=C(C1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN(C)C)CCCN(C)C
Tpsa: 107.38
Logp: 3.6214
H Acceptors: 6
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:
C₂₇H₃₅FN₂O₆
Molecular Weight:
502.58
Synonyms:
None
SMILES:
O=C(O)C(=O)O.O=C(C1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN(C)C)CCCN(C)C
Tpsa:
107.38
Logp:
3.6214
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
10
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃BrFNO₅
Molecular Weight: 468.31
Synonyms: None
SMILES: O=C(O)C(=O)O.FC1=CC=C(C=C1)C2(OCC3=CC(Br)=CC=C32)CCCN(C)C
Tpsa: 87.07
Logp: 3.8594
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃BrFNO₅
Molecular Weight:
468.31
Synonyms:
None
SMILES:
O=C(O)C(=O)O.FC1=CC=C(C=C1)C2(OCC3=CC(Br)=CC=C32)CCCN(C)C
Tpsa:
87.07
Logp:
3.8594
H Acceptors:
4
H Donors:
2
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: 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