CS-0254127
Dimethyl 2,2-di(but-2-yn-1-yl)malonate
Manufacturer: ChemScene
CAS Number: 107428-05-7
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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
C₁₃H₁₆O₄
Molecular Weight
236.26
Synonyms
Propanedioic acid, 2,2-di-2-butyn-1-yl-, 1,3-dimethyl ester
SMILES
O=C(OC)C(CC#CC)(CC#CC)C(OC)=O
Tpsa
52.6
Logp
1.1456
H Acceptors
4
H Donors
0
Rotatable Bonds
4
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: C₁₃H₁₆O₄
Molecular Weight: 236.26
Synonyms: Propanedioic acid, 2,2-di-2-butyn-1-yl-, 1,3-dimethyl ester
SMILES: O=C(OC)C(CC#CC)(CC#CC)C(OC)=O
Tpsa: 52.6
Logp: 1.1456
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:
C₁₃H₁₆O₄
Molecular Weight:
236.26
Synonyms:
Propanedioic acid, 2,2-di-2-butyn-1-yl-, 1,3-dimethyl ester
SMILES:
O=C(OC)C(CC#CC)(CC#CC)C(OC)=O
Tpsa:
52.6
Logp:
1.1456
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: C₇H₅ClFNO₂
Molecular Weight: 189.57
Synonyms: None
SMILES: O=C(C1=C(Cl)N=C(C)C(F)=C1)O
Tpsa: 50.19
Logp: 1.88072
H Acceptors: 2
H Donors: 1
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:
C₇H₅ClFNO₂
Molecular Weight:
189.57
Synonyms:
None
SMILES:
O=C(C1=C(Cl)N=C(C)C(F)=C1)O
Tpsa:
50.19
Logp:
1.88072
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂ClN₅O₂
Molecular Weight: 423.90
Synonyms: None
SMILES: ClC1=CC=C(C=C1)[C@H]2[C@@H](C3CC3)ON=C(C4=CC=C(N5C=C(N=C5)C)C(OC)=N4)N2
Tpsa: 73.56
Logp: 4.03902
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₂ClN₅O₂
Molecular Weight:
423.90
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)[C@H]2[C@@H](C3CC3)ON=C(C4=CC=C(N5C=C(N=C5)C)C(OC)=N4)N2
Tpsa:
73.56
Logp:
4.03902
H Acceptors:
7
H Donors:
1
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: C₁₈H₁₉BrFN₃O₄
Molecular Weight: 440.26
Synonyms: None
SMILES: CC[C@H]([C@@H](C(N1)=O)F)[C@H]1COC2=NC=C(Br)C3=C2C=C(OC)C(C(N)=O)=C3
Tpsa: 103.54
Logp: 2.3463
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉BrFN₃O₄
Molecular Weight:
440.26
Synonyms:
None
SMILES:
CC[C@H]([C@@H](C(N1)=O)F)[C@H]1COC2=NC=C(Br)C3=C2C=C(OC)C(C(N)=O)=C3
Tpsa:
103.54
Logp:
2.3463
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
6