CS-0611509
Ethyl 4-amino-3-ethynylbenzoate
Manufacturer: ChemScene
CAS Number: 936840-07-2
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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
C₁₁H₁₁NO₂
Molecular Weight
189.21
Synonyms
Benzoic acid, 4-amino-3-ethynyl-, ethyl ester
SMILES
O=C(OCC)C1=CC=C(N)C(C#C)=C1
Tpsa
52.32
Logp
1.4268
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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
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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: C₁₁H₁₁NO₂
Molecular Weight: 189.21
Synonyms: Benzoic acid, 4-amino-3-ethynyl-, ethyl ester
SMILES: O=C(OCC)C1=CC=C(N)C(C#C)=C1
Tpsa: 52.32
Logp: 1.4268
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:
C₁₁H₁₁NO₂
Molecular Weight:
189.21
Synonyms:
Benzoic acid, 4-amino-3-ethynyl-, ethyl ester
SMILES:
O=C(OCC)C1=CC=C(N)C(C#C)=C1
Tpsa:
52.32
Logp:
1.4268
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: C₁₃H₁₀
Molecular Weight: 166.22
Synonyms: None
SMILES: C#CC1=C(C=CC=C2)C2=C(C=C1)C
Tpsa: 0
Logp: 3.12952
H Acceptors: 0
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:
C₁₃H₁₀
Molecular Weight:
166.22
Synonyms:
None
SMILES:
C#CC1=C(C=CC=C2)C2=C(C=C1)C
Tpsa:
0
Logp:
3.12952
H Acceptors:
0
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: C₁₁H₁₀O
Molecular Weight: 158.20
Synonyms: None
SMILES: C#CC1=CC=C2CCOCC2=C1
Tpsa: 9.23
Logp: 1.7406
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:
C₁₁H₁₀O
Molecular Weight:
158.20
Synonyms:
None
SMILES:
C#CC1=CC=C2CCOCC2=C1
Tpsa:
9.23
Logp:
1.7406
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD24387082
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂N₄O₄
Molecular Weight: 252.23
Synonyms: None
SMILES: O=C1C2=C(N([C@H]3[C@H](O)C[C@@H](CO)O3)C=N2)N=CN1
Tpsa: 113.26
Logp: -1.2397
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD24387082
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₄O₄
Molecular Weight:
252.23
Synonyms:
None
SMILES:
O=C1C2=C(N([C@H]3[C@H](O)C[C@@H](CO)O3)C=N2)N=CN1
Tpsa:
113.26
Logp:
-1.2397
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
2