CS-0598027
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 80151-20-8
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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
C₁₂H₁₁NO
Molecular Weight
185.22
Synonyms
None
SMILES
CC(C)(C#CC1=CC=C(C=C1)C#N)O
Tpsa
44.02
Logp
1.68068
H Acceptors
2
H Donors
1
Rotatable Bonds
0
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 80151-20-8 | Benzonitrile, 4-(3-hydroxy-3-methyl-1-butynyl)- | 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
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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: C₁₂H₁₁NO
Molecular Weight: 185.22
Synonyms: None
SMILES: CC(C)(C#CC1=CC=C(C=C1)C#N)O
Tpsa: 44.02
Logp: 1.68068
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:
C₁₂H₁₁NO
Molecular Weight:
185.22
Synonyms:
None
SMILES:
CC(C)(C#CC1=CC=C(C=C1)C#N)O
Tpsa:
44.02
Logp:
1.68068
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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: None
SMILES: CCCC1=C(C(=CC(=C1O)C(=O)C)C(=O)C)N
Tpsa: 80.39
Logp: 2.3321
H Acceptors: 4
H Donors: 2
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
None
SMILES:
CCCC1=C(C(=CC(=C1O)C(=O)C)C(=O)C)N
Tpsa:
80.39
Logp:
2.3321
H Acceptors:
4
H Donors:
2
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: C₁₀H₁₉N
Molecular Weight: 153.26
Synonyms: None
SMILES: C=CCC(C1CCCCC1)N
Tpsa: 26.02
Logp: 2.4701
H Acceptors: 1
H Donors: 1
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:
C₁₀H₁₉N
Molecular Weight:
153.26
Synonyms:
None
SMILES:
C=CCC(C1CCCCC1)N
Tpsa:
26.02
Logp:
2.4701
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD03424961
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃ClN₂O₆S
Molecular Weight: 384.79
Synonyms: None
SMILES: CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)Cl
Tpsa: 115.61
Logp: 3.1733
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD03424961
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃ClN₂O₆S
Molecular Weight:
384.79
Synonyms:
None
SMILES:
CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)Cl
Tpsa:
115.61
Logp:
3.1733
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6