CS-1004380
5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, ethanedioate 1:1
Manufacturer: ChemScene
CAS Number: 62498-70-8
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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
C₂₀H₁₉FN₂O₅
Molecular Weight
386.37
Synonyms
None
SMILES
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN.O=C(O)C(=O)O
Tpsa
133.64
Logp
2.36568
H Acceptors
5
H Donors
3
Rotatable Bonds
4
Related Products
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: C₂₀H₁₉FN₂O₅
Molecular Weight: 386.37
Synonyms: None
SMILES: N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN.O=C(O)C(=O)O
Tpsa: 133.64
Logp: 2.36568
H Acceptors: 5
H Donors: 3
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:
C₂₀H₁₉FN₂O₅
Molecular Weight:
386.37
Synonyms:
None
SMILES:
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN.O=C(O)C(=O)O
Tpsa:
133.64
Logp:
2.36568
H Acceptors:
5
H Donors:
3
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: C₁₉H₂₆O₂
Molecular Weight: 286.41
Synonyms: None
SMILES: C[C@@]12C=3[C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC=C1C[C@@H](O)CC2)[H]
Tpsa: 37.3
Logp: 3.7993
H Acceptors: 2
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:
C₁₉H₂₆O₂
Molecular Weight:
286.41
Synonyms:
None
SMILES:
C[C@@]12C=3[C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC=C1C[C@@H](O)CC2)[H]
Tpsa:
37.3
Logp:
3.7993
H Acceptors:
2
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: C₁₁H₂₁NO₃
Molecular Weight: 215.29
Synonyms: None
SMILES: O=C(OCC)CCCCN1CCOCC1
Tpsa: 38.77
Logp: 1.052
H Acceptors: 4
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:
C₁₁H₂₁NO₃
Molecular Weight:
215.29
Synonyms:
None
SMILES:
O=C(OCC)CCCCN1CCOCC1
Tpsa:
38.77
Logp:
1.052
H Acceptors:
4
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: C₉H₁₂N₄O₄
Molecular Weight: 240.22
Synonyms: None
SMILES: O=C1NC(=O)N(C=2N=CN(C12)CC(O)CO)C
Tpsa: 113.14
Logp: -2.2235
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₄O₄
Molecular Weight:
240.22
Synonyms:
None
SMILES:
O=C1NC(=O)N(C=2N=CN(C12)CC(O)CO)C
Tpsa:
113.14
Logp:
-2.2235
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
3