CS-0545381
2-(3,4-Dimethoxyphenethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Manufacturer: ChemScene
CAS Number: 77960-26-0
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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
C₁₉H₂₁NO₆
Molecular Weight
359.37
Synonyms
None
SMILES
COC1=C(C=C(C=C1)CCN2CC34C=CC(O3)C(C4C2=O)C(=O)O)OC
Tpsa
85.3
Logp
1.1129
H Acceptors
5
H Donors
1
Rotatable Bonds
6
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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: C₁₉H₂₁NO₆
Molecular Weight: 359.37
Synonyms: None
SMILES: COC1=C(C=C(C=C1)CCN2CC34C=CC(O3)C(C4C2=O)C(=O)O)OC
Tpsa: 85.3
Logp: 1.1129
H Acceptors: 5
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:
C₁₉H₂₁NO₆
Molecular Weight:
359.37
Synonyms:
None
SMILES:
COC1=C(C=C(C=C1)CCN2CC34C=CC(O3)C(C4C2=O)C(=O)O)OC
Tpsa:
85.3
Logp:
1.1129
H Acceptors:
5
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: C₅H₈N₄O
Molecular Weight: 140.14
Synonyms: 5-Amino-N-methyl-1H-pyrazole-4-carboxamide
SMILES: O=C(NC)C1=CNN=C1N
Tpsa: 83.8
Logp: -0.6485
H Acceptors: 3
H Donors: 3
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:
C₅H₈N₄O
Molecular Weight:
140.14
Synonyms:
5-Amino-N-methyl-1H-pyrazole-4-carboxamide
SMILES:
O=C(NC)C1=CNN=C1N
Tpsa:
83.8
Logp:
-0.6485
H Acceptors:
3
H Donors:
3
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: C₁₂H₁₄N₂O₂
Molecular Weight: 218.25
Synonyms: (2,5,6-TRIMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
SMILES: CC1=CC2=C(C=C1C)N(C(=N2)C)CC(=O)O
Tpsa: 55.12
Logp: 2.04616
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₂
Molecular Weight:
218.25
Synonyms:
(2,5,6-TRIMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
SMILES:
CC1=CC2=C(C=C1C)N(C(=N2)C)CC(=O)O
Tpsa:
55.12
Logp:
2.04616
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: 4-methoxy-homophthalimide
SMILES: COC1=CC2=C(CC(=O)NC2=O)C=C1
Tpsa: 55.4
Logp: 0.5077
H Acceptors: 3
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
4-methoxy-homophthalimide
SMILES:
COC1=CC2=C(CC(=O)NC2=O)C=C1
Tpsa:
55.4
Logp:
0.5077
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1