CS-1002529
Butylphthalide Impurity 25
Manufacturer: ChemScene
CAS Number: 20871-40-3
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃NO
Molecular Weight
187.24
Synonyms
None
SMILES
O=C1NC(=CCCC)C=2C=CC=CC12
Tpsa
29.1
Logp
2.571
H Acceptors
1
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 20871-40-3 | 1H-Isoindol-1-one, 3-butylidene-2,3-dihydro- | A2B Chem | -- |
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO
Molecular Weight: 187.24
Synonyms: None
SMILES: O=C1NC(=CCCC)C=2C=CC=CC12
Tpsa: 29.1
Logp: 2.571
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO
Molecular Weight:
187.24
Synonyms:
None
SMILES:
O=C1NC(=CCCC)C=2C=CC=CC12
Tpsa:
29.1
Logp:
2.571
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂N₂O₃
Molecular Weight: 244.25
Synonyms: None
SMILES: C(=C(/C(C)=O)\C(N)=O)\C1=C(OC)C=C(C#N)C=C1
Tpsa: 93.18
Logp: 1.02458
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂N₂O₃
Molecular Weight:
244.25
Synonyms:
None
SMILES:
C(=C(/C(C)=O)\C(N)=O)\C1=C(OC)C=C(C#N)C=C1
Tpsa:
93.18
Logp:
1.02458
H Acceptors:
4
H Donors:
1
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: C₂₁H₃₁N₃O₆
Molecular Weight: 421.49
Synonyms: None
SMILES: N(C(CCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)C=2C3=C(C=C(OC)C2)C=CC=N3
Tpsa: 136.33
Logp: 0.2135
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₁N₃O₆
Molecular Weight:
421.49
Synonyms:
None
SMILES:
N(C(CCCN[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)C=2C3=C(C=C(OC)C2)C=CC=N3
Tpsa:
136.33
Logp:
0.2135
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉F₃N₂OS
Molecular Weight: 274.26
Synonyms: None
SMILES: N#CC1=CC=C(C=C1C(F)(F)F)NC(=S)OCC
Tpsa: 45.05
Logp: 3.31038
H Acceptors: 3
H Donors: 1
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:
C₁₁H₉F₃N₂OS
Molecular Weight:
274.26
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1C(F)(F)F)NC(=S)OCC
Tpsa:
45.05
Logp:
3.31038
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2