CS-1021779
2-(But-3-yn-2-ylamino)benzoic acid
Manufacturer: ChemScene
CAS Number: 1602111-88-5
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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
C₁₁H₁₁NO₂
Molecular Weight
189.21
Synonyms
None
SMILES
O=C(O)C=1C=CC=CC1NC(C#C)C
Tpsa
49.33
Logp
1.8184
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: C₁₁H₁₁NO₂
Molecular Weight: 189.21
Synonyms: None
SMILES: O=C(O)C=1C=CC=CC1NC(C#C)C
Tpsa: 49.33
Logp: 1.8184
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:
C₁₁H₁₁NO₂
Molecular Weight:
189.21
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=CC1NC(C#C)C
Tpsa:
49.33
Logp:
1.8184
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: C₁₀H₉N₃O
Molecular Weight: 187.20
Synonyms: None
SMILES: O=CC1=CN=CC(=C1)N2N=CC(=C2)C
Tpsa: 47.78
Logp: 1.38822
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:
C₁₀H₉N₃O
Molecular Weight:
187.20
Synonyms:
None
SMILES:
O=CC1=CN=CC(=C1)N2N=CC(=C2)C
Tpsa:
47.78
Logp:
1.38822
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: C₆H₆BrNOS
Molecular Weight: 220.09
Synonyms: None
SMILES: O=C(C1=CSC=C1Br)CN
Tpsa: 43.09
Logp: 1.652
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:
C₆H₆BrNOS
Molecular Weight:
220.09
Synonyms:
None
SMILES:
O=C(C1=CSC=C1Br)CN
Tpsa:
43.09
Logp:
1.652
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: C₉H₁₇Cl
Molecular Weight: 160.68
Synonyms: None
SMILES: ClCC(CCC)C1CCC1
Tpsa: 0
Logp: 3.4416
H Acceptors: 0
H Donors: 0
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:
C₉H₁₇Cl
Molecular Weight:
160.68
Synonyms:
None
SMILES:
ClCC(CCC)C1CCC1
Tpsa:
0
Logp:
3.4416
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
4