CS-1020117
4-(But-2-yn-1-ylamino)-3-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1594025-00-9
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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=C(NCC#CC)C(=C1)C
Tpsa
49.33
Logp
2.12842
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=C(NCC#CC)C(=C1)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(NCC#CC)C(=C1)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: C₉H₁₆N₄O
Molecular Weight: 196.25
Synonyms: None
SMILES: N1=NN(C=C1N)CC2OC(C)(C)CC2
Tpsa: 65.96
Logp: 0.8179
H Acceptors: 5
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:
C₉H₁₆N₄O
Molecular Weight:
196.25
Synonyms:
None
SMILES:
N1=NN(C=C1N)CC2OC(C)(C)CC2
Tpsa:
65.96
Logp:
0.8179
H Acceptors:
5
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: C₉H₉FS
Molecular Weight: 168.23
Synonyms: None
SMILES: FC1=CC=C2C(=C1)CCC2S
Tpsa: 0
Logp: 2.7428
H Acceptors: 1
H Donors: 1
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:
C₉H₉FS
Molecular Weight:
168.23
Synonyms:
None
SMILES:
FC1=CC=C2C(=C1)CCC2S
Tpsa:
0
Logp:
2.7428
H Acceptors:
1
H Donors:
1
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: C₈H₁₅NO₂
Molecular Weight: 157.21
Synonyms: None
SMILES: O=C(CC)C1(C)COCC1N
Tpsa: 52.32
Logp: 0.3293
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:
C₈H₁₅NO₂
Molecular Weight:
157.21
Synonyms:
None
SMILES:
O=C(CC)C1(C)COCC1N
Tpsa:
52.32
Logp:
0.3293
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2