CS-1020829
2-(But-3-yn-2-ylamino)-5-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1597706-28-9
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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(=CC=C1NC(C#C)C)C
Tpsa
49.33
Logp
2.12682
H Acceptors
2
H Donors
2
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: 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(=CC=C1NC(C#C)C)C
Tpsa: 49.33
Logp: 2.12682
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(=CC=C1NC(C#C)C)C
Tpsa:
49.33
Logp:
2.12682
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: C₁₁H₁₈N₂S₂
Molecular Weight: 242.40
Synonyms: None
SMILES: N1=C(SC=C1C)SCCC2CCNCC2
Tpsa: 24.92
Logp: 2.93332
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈N₂S₂
Molecular Weight:
242.40
Synonyms:
None
SMILES:
N1=C(SC=C1C)SCCC2CCNCC2
Tpsa:
24.92
Logp:
2.93332
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃NO
Molecular Weight: 151.21
Synonyms: None
SMILES: O=C(C#C)C1(N)CCCCC1
Tpsa: 43.09
Logp: 0.8503
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NO
Molecular Weight:
151.21
Synonyms:
None
SMILES:
O=C(C#C)C1(N)CCCCC1
Tpsa:
43.09
Logp:
0.8503
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃N₅O
Molecular Weight: 183.21
Synonyms: None
SMILES: O=C1NN=C(N1)N2CCC(N)CC2
Tpsa: 90.8
Logp: -0.9745
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃N₅O
Molecular Weight:
183.21
Synonyms:
None
SMILES:
O=C1NN=C(N1)N2CCC(N)CC2
Tpsa:
90.8
Logp:
-0.9745
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1