CS-0731320
2-(4-(tert-Butyl)phenyl)-4-methyl-3-oxopentanenitrile
Manufacturer: ChemScene
CAS Number: 1177093-19-4
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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
C₁₆H₂₁NO
Molecular Weight
243.34
Synonyms
None
SMILES
CC(C)C(=O)C(C#N)C1=CC=C(C=C1)C(C)(C)C
Tpsa
40.86
Logp
3.81638
H Acceptors
2
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1177093-19-4 | 2-(4-(tert-Butyl)phenyl)-4-methyl-3-oxopentanenitrile | A2B Chem | -- |
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁NO
Molecular Weight: 243.34
Synonyms: None
SMILES: CC(C)C(=O)C(C#N)C1=CC=C(C=C1)C(C)(C)C
Tpsa: 40.86
Logp: 3.81638
H Acceptors: 2
H Donors: 0
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:
C₁₆H₂₁NO
Molecular Weight:
243.34
Synonyms:
None
SMILES:
CC(C)C(=O)C(C#N)C1=CC=C(C=C1)C(C)(C)C
Tpsa:
40.86
Logp:
3.81638
H Acceptors:
2
H Donors:
0
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: C₁₇H₁₈ClNO₃
Molecular Weight: 319.78
Synonyms: None
SMILES: Cl.CC(=O)C1=CC(=CC=C1)C1=CC=C(C[C@@H](N)C(O)=O)C=C1
Tpsa: 80.39
Logp: 2.9324
H Acceptors: 3
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:
C₁₇H₁₈ClNO₃
Molecular Weight:
319.78
Synonyms:
None
SMILES:
Cl.CC(=O)C1=CC(=CC=C1)C1=CC=C(C[C@@H](N)C(O)=O)C=C1
Tpsa:
80.39
Logp:
2.9324
H Acceptors:
3
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: C₆H₇Cl₂N₃O₂
Molecular Weight: 224.04
Synonyms: None
SMILES: Cl.NNC1=C(C=C(Cl)C=C1)[N+]([O-])=O
Tpsa: 81.19
Logp: 1.9556
H Acceptors: 4
H Donors: 2
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:
C₆H₇Cl₂N₃O₂
Molecular Weight:
224.04
Synonyms:
None
SMILES:
Cl.NNC1=C(C=C(Cl)C=C1)[N+]([O-])=O
Tpsa:
81.19
Logp:
1.9556
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₉N₃O₂S
Molecular Weight: 257.35
Synonyms: None
SMILES: CN1CC(=O)N(CCCN2CCOCC2)C1=S
Tpsa: 36.02
Logp: -0.2324
H Acceptors: 4
H Donors: 0
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:
C₁₁H₁₉N₃O₂S
Molecular Weight:
257.35
Synonyms:
None
SMILES:
CN1CC(=O)N(CCCN2CCOCC2)C1=S
Tpsa:
36.02
Logp:
-0.2324
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4