CS-0873362
α-[(Dimethylamino)methylene]-β-oxo-1,3-benzodioxole-5-propanenitrile
Manufacturer: ChemScene
CAS Number: 96219-78-2
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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
C₁₃H₁₂N₂O₃
Molecular Weight
244.25
Synonyms
None
SMILES
N#CC(=CN(C)C)C(=O)C1=CC=C2OCOC2=C1
Tpsa
62.56
Logp
1.56708
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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: C₁₃H₁₂N₂O₃
Molecular Weight: 244.25
Synonyms: None
SMILES: N#CC(=CN(C)C)C(=O)C1=CC=C2OCOC2=C1
Tpsa: 62.56
Logp: 1.56708
H Acceptors: 5
H Donors: 0
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:
C₁₃H₁₂N₂O₃
Molecular Weight:
244.25
Synonyms:
None
SMILES:
N#CC(=CN(C)C)C(=O)C1=CC=C2OCOC2=C1
Tpsa:
62.56
Logp:
1.56708
H Acceptors:
5
H Donors:
0
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: C₁₉H₁₅N
Molecular Weight: 257.33
Synonyms: None
SMILES: CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
Tpsa: 12.89
Logp: 5.15804
H Acceptors: 1
H Donors: 0
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:
C₁₉H₁₅N
Molecular Weight:
257.33
Synonyms:
None
SMILES:
CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
Tpsa:
12.89
Logp:
5.15804
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C10H13ClO3
Molecular Weight: 216.66
Synonyms: None
SMILES: COC1=CC(=C(C(=C1)OC)CCl)OC
Tpsa: 27.69
Logp: 2.4512
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C10H13ClO3
Molecular Weight:
216.66
Synonyms:
None
SMILES:
COC1=CC(=C(C(=C1)OC)CCl)OC
Tpsa:
27.69
Logp:
2.4512
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃Cl₂N₃S
Molecular Weight: 278.20
Synonyms: None
SMILES: NC(C=C1)=CC=C1SC2=NC=CN2C.Cl.Cl
Tpsa: 43.84
Logp: 2.1535
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:
C₁₀H₁₃Cl₂N₃S
Molecular Weight:
278.20
Synonyms:
None
SMILES:
NC(C=C1)=CC=C1SC2=NC=CN2C.Cl.Cl
Tpsa:
43.84
Logp:
2.1535
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2