CS-1162029
1-(4-(Cyanomethyl)phenyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 1956371-66-6
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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
C₁₄H₁₁N₃O₂
Molecular Weight
253.26
Synonyms
None
SMILES
N#CC=1C(=O)N(C2=CC=C(C=C2)CC#N)CCC1O
Tpsa
88.12
Logp
1.82506
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁N₃O₂
Molecular Weight: 253.26
Synonyms: None
SMILES: N#CC=1C(=O)N(C2=CC=C(C=C2)CC#N)CCC1O
Tpsa: 88.12
Logp: 1.82506
H Acceptors: 4
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:
C₁₄H₁₁N₃O₂
Molecular Weight:
253.26
Synonyms:
None
SMILES:
N#CC=1C(=O)N(C2=CC=C(C=C2)CC#N)CCC1O
Tpsa:
88.12
Logp:
1.82506
H Acceptors:
4
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: C₉H₅Br₂FO₂
Molecular Weight: 323.94
Synonyms: None
SMILES: O=C(O)C=CC=1C(Br)=CC=C(Br)C1F
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅Br₂FO₂
Molecular Weight:
323.94
Synonyms:
None
SMILES:
O=C(O)C=CC=1C(Br)=CC=C(Br)C1F
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClF₂NO₂
Molecular Weight: 235.61
Synonyms: None
SMILES: O=C(O)CC=1C(=CN=C(Cl)C1C(F)F)C
Tpsa: 50.19
Logp: 2.60812
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClF₂NO₂
Molecular Weight:
235.61
Synonyms:
None
SMILES:
O=C(O)CC=1C(=CN=C(Cl)C1C(F)F)C
Tpsa:
50.19
Logp:
2.60812
H Acceptors:
2
H Donors:
1
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: C₇H₇BrF₂N₂
Molecular Weight: 237.05
Synonyms: None
SMILES: FC(F)C1=CC=C(Br)N=C1CN
Tpsa: 38.91
Logp: 2.2404
H Acceptors: 2
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:
C₇H₇BrF₂N₂
Molecular Weight:
237.05
Synonyms:
None
SMILES:
FC(F)C1=CC=C(Br)N=C1CN
Tpsa:
38.91
Logp:
2.2404
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2