CS-0568874
2-(2,4,5-Trimethoxyphenyl)acetonitrile
Manufacturer: ChemScene
CAS Number: 38444-50-7
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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
C₁₁H₁₃NO₃
Molecular Weight
207.23
Synonyms
Benzeneacetonitrile, 2,4,5-trimethoxy-
SMILES
COC1=CC(=C(C=C1CC#N)OC)OC
Tpsa
51.48
Logp
1.77848
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 38444-50-7 | 2,4,5-trimethoxybenzeneacetonitrile | A2B Chem | -- |
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: C₁₁H₁₃NO₃
Molecular Weight: 207.23
Synonyms: Benzeneacetonitrile, 2,4,5-trimethoxy-
SMILES: COC1=CC(=C(C=C1CC#N)OC)OC
Tpsa: 51.48
Logp: 1.77848
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:
C₁₁H₁₃NO₃
Molecular Weight:
207.23
Synonyms:
Benzeneacetonitrile, 2,4,5-trimethoxy-
SMILES:
COC1=CC(=C(C=C1CC#N)OC)OC
Tpsa:
51.48
Logp:
1.77848
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: C₂₆H₃₀N₂O₆
Molecular Weight: 466.53
Synonyms: None
SMILES: O=C(O)[C@@](CCCCNC(OCC=C)=O)(C)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Tpsa: 113.96
Logp: 4.4509
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₀N₂O₆
Molecular Weight:
466.53
Synonyms:
None
SMILES:
O=C(O)[C@@](CCCCNC(OCC=C)=O)(C)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Tpsa:
113.96
Logp:
4.4509
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₆N₂O₆
Molecular Weight: 508.61
Synonyms: None
SMILES: C(OC(N[C@@H](CCCCNC(OC(C)(C)C)=O)C(OCC=C)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
Tpsa: 102.96
Logp: 5.3179
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₆N₂O₆
Molecular Weight:
508.61
Synonyms:
None
SMILES:
C(OC(N[C@@H](CCCCNC(OC(C)(C)C)=O)C(OCC=C)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
Tpsa:
102.96
Logp:
5.3179
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₂₉N₃O₆
Molecular Weight: 491.54
Synonyms: None
SMILES: O=C(O)[C@H](CC1=CN(C(OC(C)(C)C)=O)C=N1)N(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)C
Tpsa: 110.96
Logp: 4.5429
H Acceptors: 7
H Donors: 1
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:
C₂₇H₂₉N₃O₆
Molecular Weight:
491.54
Synonyms:
None
SMILES:
O=C(O)[C@H](CC1=CN(C(OC(C)(C)C)=O)C=N1)N(C(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)C
Tpsa:
110.96
Logp:
4.5429
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6