CS-0769667
Methyl 2-Cyano-4,4-dimethoxybutanoate
Manufacturer: ChemScene
CAS Number: 113410-42-7
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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
C₈H₁₃NO₄
Molecular Weight
187.19
Synonyms
None
SMILES
COC(CC(C#N)C(=O)OC)OC
Tpsa
68.55
Logp
0.30818
H Acceptors
5
H Donors
0
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: C₈H₁₃NO₄
Molecular Weight: 187.19
Synonyms: None
SMILES: COC(CC(C#N)C(=O)OC)OC
Tpsa: 68.55
Logp: 0.30818
H Acceptors: 5
H Donors: 0
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:
C₈H₁₃NO₄
Molecular Weight:
187.19
Synonyms:
None
SMILES:
COC(CC(C#N)C(=O)OC)OC
Tpsa:
68.55
Logp:
0.30818
H Acceptors:
5
H Donors:
0
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: C₉H₁₅N₃O₃
Molecular Weight: 213.23
Synonyms: None
SMILES: COC(CC1=C(N)N=C(C)NC1=O)OC
Tpsa: 90.23
Logp: -0.17808
H Acceptors: 5
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:
C₉H₁₅N₃O₃
Molecular Weight:
213.23
Synonyms:
None
SMILES:
COC(CC1=C(N)N=C(C)NC1=O)OC
Tpsa:
90.23
Logp:
-0.17808
H Acceptors:
5
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: C₅H₉ClN₂S
Molecular Weight: 164.66
Synonyms: None
SMILES: Cl.CC1=NC(C)=C(N)S1
Tpsa: 38.91
Logp: 1.76394
H Acceptors: 3
H Donors: 1
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:
C₅H₉ClN₂S
Molecular Weight:
164.66
Synonyms:
None
SMILES:
Cl.CC1=NC(C)=C(N)S1
Tpsa:
38.91
Logp:
1.76394
H Acceptors:
3
H Donors:
1
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: C₅H₁₃ClN₂
Molecular Weight: 136.62
Synonyms: None
SMILES: Cl.N[C@@H]1CCCNC1
Tpsa: 38.05
Logp: 0.1189
H Acceptors: 2
H Donors: 2
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:
C₅H₁₃ClN₂
Molecular Weight:
136.62
Synonyms:
None
SMILES:
Cl.N[C@@H]1CCCNC1
Tpsa:
38.05
Logp:
0.1189
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0