CS-1154368
3-Oxo-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanenitrile
Manufacturer: ChemScene
CAS Number: 477710-14-8
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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
C₉H₁₁N₃O
Molecular Weight
177.21
Synonyms
None
SMILES
N#CCC(=O)N1N=C(C(=C1C)C)C
Tpsa
58.68
Logp
1.36224
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₉H₁₁N₃O
Molecular Weight: 177.21
Synonyms: None
SMILES: N#CCC(=O)N1N=C(C(=C1C)C)C
Tpsa: 58.68
Logp: 1.36224
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁N₃O
Molecular Weight:
177.21
Synonyms:
None
SMILES:
N#CCC(=O)N1N=C(C(=C1C)C)C
Tpsa:
58.68
Logp:
1.36224
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₁₁ClFN
Molecular Weight: 127.59
Synonyms: None
SMILES: [Cl-].FC[N+](C)(C)C
Tpsa: 0
Logp: -2.3764
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₁₁ClFN
Molecular Weight:
127.59
Synonyms:
None
SMILES:
[Cl-].FC[N+](C)(C)C
Tpsa:
0
Logp:
-2.3764
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₈ClNO₂
Molecular Weight: 195.69
Synonyms: None
SMILES: [C@@H](N[C@H](C(O)=O)C)(C(C)C)C.Cl
Tpsa: 49.33
Logp: 1.5154
H Acceptors: 2
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:
C₈H₁₈ClNO₂
Molecular Weight:
195.69
Synonyms:
None
SMILES:
[C@@H](N[C@H](C(O)=O)C)(C(C)C)C.Cl
Tpsa:
49.33
Logp:
1.5154
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₄ClF₂NO
Molecular Weight: 249.69
Synonyms: None
SMILES: Cl.FC1=CC=CC(F)=C1COC2CNCC2
Tpsa: 21.26
Logp: 2.2651
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:
C₁₁H₁₄ClF₂NO
Molecular Weight:
249.69
Synonyms:
None
SMILES:
Cl.FC1=CC=CC(F)=C1COC2CNCC2
Tpsa:
21.26
Logp:
2.2651
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3