CS-0767307
2-((1H-Indol-3-Yl)methyl)-2-acetyl-4-oxopentanenitrile
Manufacturer: ChemScene
CAS Number: 131920-07-5
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₆H₁₆N₂O₂
Molecular Weight
268.31
Synonyms
None
SMILES
CC(=O)CC(CC1=CNC2=CC=CC=C12)(C#N)C(C)=O
Tpsa
73.72
Logp
2.78848
H Acceptors
3
H Donors
1
Rotatable Bonds
5
SAFETY INFORMATION
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆N₂O₂
Molecular Weight: 268.31
Synonyms: None
SMILES: CC(=O)CC(CC1=CNC2=CC=CC=C12)(C#N)C(C)=O
Tpsa: 73.72
Logp: 2.78848
H Acceptors: 3
H Donors: 1
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:
C₁₆H₁₆N₂O₂
Molecular Weight:
268.31
Synonyms:
None
SMILES:
CC(=O)CC(CC1=CNC2=CC=CC=C12)(C#N)C(C)=O
Tpsa:
73.72
Logp:
2.78848
H Acceptors:
3
H Donors:
1
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: C₁₅H₁₄S
Molecular Weight: 226.34
Synonyms: None
SMILES: CCCC1=CC=CC2=C1SC1=C2C=CC=C1
Tpsa: 0
Logp: 5.007
H Acceptors: 1
H Donors: 0
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:
C₁₅H₁₄S
Molecular Weight:
226.34
Synonyms:
None
SMILES:
CCCC1=CC=CC2=C1SC1=C2C=CC=C1
Tpsa:
0
Logp:
5.007
H Acceptors:
1
H Donors:
0
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: C₁₁H₁₇F₃O
Molecular Weight: 222.25
Synonyms: None
SMILES: CC(C)(C)C1CCC(=O)C(C1)C(F)(F)F
Tpsa: 17.07
Logp: 3.5802
H Acceptors: 1
H Donors: 0
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:
C₁₁H₁₇F₃O
Molecular Weight:
222.25
Synonyms:
None
SMILES:
CC(C)(C)C1CCC(=O)C(C1)C(F)(F)F
Tpsa:
17.07
Logp:
3.5802
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈N₂O₅
Molecular Weight: 212.16
Synonyms: None
SMILES: NC(C(O)=O)C1=CC(=C(O)C=C1)[N+]([O-])=O
Tpsa: 126.69
Logp: 0.3848
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₅
Molecular Weight:
212.16
Synonyms:
None
SMILES:
NC(C(O)=O)C1=CC(=C(O)C=C1)[N+]([O-])=O
Tpsa:
126.69
Logp:
0.3848
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
3