CS-1020346
2-(But-2-yn-1-ylamino)-4-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1595821-47-8
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
None
SMILES
O=C(O)C1=CC=C(C=C1NCC#CC)C
Tpsa
49.33
Logp
2.12842
H Acceptors
2
H Donors
2
Rotatable Bonds
3
Related Products
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: None
SMILES: O=C(O)C1=CC=C(C=C1NCC#CC)C
Tpsa: 49.33
Logp: 2.12842
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C=C1NCC#CC)C
Tpsa:
49.33
Logp:
2.12842
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₆FNO₂
Molecular Weight: 191.16
Synonyms: None
SMILES: N#CC1OC(=O)C2=CC(F)=CC=C2C1
Tpsa: 50.09
Logp: 1.43078
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆FNO₂
Molecular Weight:
191.16
Synonyms:
None
SMILES:
N#CC1OC(=O)C2=CC(F)=CC=C2C1
Tpsa:
50.09
Logp:
1.43078
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₅BrO₃S
Molecular Weight: 271.17
Synonyms: None
SMILES: O=S1(=O)CC(Br)C(OC(C)CC)C1
Tpsa: 43.37
Logp: 1.362
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₅BrO₃S
Molecular Weight:
271.17
Synonyms:
None
SMILES:
O=S1(=O)CC(Br)C(OC(C)CC)C1
Tpsa:
43.37
Logp:
1.362
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃NO₃S
Molecular Weight: 179.24
Synonyms: None
SMILES: O=S(=O)(N)C(C)C1COCC1
Tpsa: 69.39
Logp: -0.3001
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃NO₃S
Molecular Weight:
179.24
Synonyms:
None
SMILES:
O=S(=O)(N)C(C)C1COCC1
Tpsa:
69.39
Logp:
-0.3001
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2