CS-0609209
Methyl 4-amino-3-ethynylbenzoate
Manufacturer: ChemScene
CAS Number: 412947-53-6
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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
C₁₀H₉NO₂
Molecular Weight
175.18
Synonyms
Benzoic acid, 4-amino-3-ethynyl-, methyl ester
SMILES
O=C(OC)C1=CC=C(N)C(C#C)=C1
Tpsa
52.32
Logp
1.0367
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₁₀H₉NO₂
Molecular Weight: 175.18
Synonyms: Benzoic acid, 4-amino-3-ethynyl-, methyl ester
SMILES: O=C(OC)C1=CC=C(N)C(C#C)=C1
Tpsa: 52.32
Logp: 1.0367
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:
C₁₀H₉NO₂
Molecular Weight:
175.18
Synonyms:
Benzoic acid, 4-amino-3-ethynyl-, methyl ester
SMILES:
O=C(OC)C1=CC=C(N)C(C#C)=C1
Tpsa:
52.32
Logp:
1.0367
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: C₁₄H₂₁BO₄Si
Molecular Weight: 292.21
Synonyms: None
SMILES: OB(C1=CC2=CC=C(O[Si](C)(C(C)(C)C)C)C=C2O1)O
Tpsa: 62.83
Logp: 2.4966
H Acceptors: 4
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:
C₁₄H₂₁BO₄Si
Molecular Weight:
292.21
Synonyms:
None
SMILES:
OB(C1=CC2=CC=C(O[Si](C)(C(C)(C)C)C)C=C2O1)O
Tpsa:
62.83
Logp:
2.4966
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD29913773
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉Br
Molecular Weight: 257.13
Synonyms: None
SMILES: C#CC1=CC=C(C2=CC=C(Br)C=C2)C=C1
Tpsa: 0
Logp: 4.0974
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD29913773
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₉Br
Molecular Weight:
257.13
Synonyms:
None
SMILES:
C#CC1=CC=C(C2=CC=C(Br)C=C2)C=C1
Tpsa:
0
Logp:
4.0974
H Acceptors:
0
H Donors:
0
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: C₁₃H₁₆BClF₃NO₂
Molecular Weight: 321.53
Synonyms: None
SMILES: NC1=CC(B2OC(C)(C)C(C)(C)O2)=C(C(F)(F)F)C(Cl)=C1
Tpsa: 44.48
Logp: 3.2402
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:
C₁₃H₁₆BClF₃NO₂
Molecular Weight:
321.53
Synonyms:
None
SMILES:
NC1=CC(B2OC(C)(C)C(C)(C)O2)=C(C(F)(F)F)C(Cl)=C1
Tpsa:
44.48
Logp:
3.2402
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1