CS-0540923
Methyl 4-(2-amino-2-oxoethyl)benzoate
Manufacturer: ChemScene
CAS Number: 52787-16-3
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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
C₁₀H₁₁NO₃
Molecular Weight
193.20
Synonyms
None
SMILES
O=C(OC)C1=CC=C(CC(N)=O)C=C1
Tpsa
69.39
Logp
0.501
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₁₀H₁₁NO₃
Molecular Weight: 193.20
Synonyms: None
SMILES: O=C(OC)C1=CC=C(CC(N)=O)C=C1
Tpsa: 69.39
Logp: 0.501
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₁NO₃
Molecular Weight:
193.20
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(CC(N)=O)C=C1
Tpsa:
69.39
Logp:
0.501
H Acceptors:
3
H Donors:
1
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: C₉H₉NO₃
Molecular Weight: 179.17
Synonyms: None
SMILES: C1=CC(=CC=C1CC(=O)N)C(=O)O
Tpsa: 80.39
Logp: 0.4126
H Acceptors: 2
H Donors: 2
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:
C₉H₉NO₃
Molecular Weight:
179.17
Synonyms:
None
SMILES:
C1=CC(=CC=C1CC(=O)N)C(=O)O
Tpsa:
80.39
Logp:
0.4126
H Acceptors:
2
H Donors:
2
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: C₈H₉BrN₂
Molecular Weight: 213.07
Synonyms: None
SMILES: C1CC(C2=NC=CN=C2C1)Br
Tpsa: 25.78
Logp: 2.2489
H Acceptors: 2
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:
C₈H₉BrN₂
Molecular Weight:
213.07
Synonyms:
None
SMILES:
C1CC(C2=NC=CN=C2C1)Br
Tpsa:
25.78
Logp:
2.2489
H Acceptors:
2
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: C₉H₉N₃O₂
Molecular Weight: 191.19
Synonyms: Imidazo[1,5-a]pyrazine-3-carboxylic acid, ethyl ester
SMILES: O=C(C1=NC=C2C=NC=CN21)OCC
Tpsa: 56.49
Logp: 0.906
H Acceptors: 5
H Donors: 0
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:
C₉H₉N₃O₂
Molecular Weight:
191.19
Synonyms:
Imidazo[1,5-a]pyrazine-3-carboxylic acid, ethyl ester
SMILES:
O=C(C1=NC=C2C=NC=CN21)OCC
Tpsa:
56.49
Logp:
0.906
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2