CS-1021386
4-(But-3-yn-2-ylamino)-2-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1600028-78-1
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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=C1C)NC(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=C(C=C1C)NC(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=C(C=C1C)NC(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: C₁₀H₁₆O₄
Molecular Weight: 200.23
Synonyms: None
SMILES: O=C(OC)C1(OC1(C)C2COCC2)C
Tpsa: 48.06
Logp: 0.7435
H Acceptors: 4
H Donors: 0
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:
C₁₀H₁₆O₄
Molecular Weight:
200.23
Synonyms:
None
SMILES:
O=C(OC)C1(OC1(C)C2COCC2)C
Tpsa:
48.06
Logp:
0.7435
H Acceptors:
4
H Donors:
0
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: C₈H₁₂BrNOS
Molecular Weight: 250.16
Synonyms: None
SMILES: BrC=1C=C(SC1C)C(O)CCN
Tpsa: 46.25
Logp: 2.20122
H Acceptors: 3
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:
C₈H₁₂BrNOS
Molecular Weight:
250.16
Synonyms:
None
SMILES:
BrC=1C=C(SC1C)C(O)CCN
Tpsa:
46.25
Logp:
2.20122
H Acceptors:
3
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: C₁₁H₁₄BrClO
Molecular Weight: 277.59
Synonyms: None
SMILES: ClCC(OCC=1C=CC=CC1)(C)CBr
Tpsa: 9.23
Logp: 3.5956
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄BrClO
Molecular Weight:
277.59
Synonyms:
None
SMILES:
ClCC(OCC=1C=CC=CC1)(C)CBr
Tpsa:
9.23
Logp:
3.5956
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5