CS-1021185
2-(Pent-4-yn-2-ylamino)benzoic acid
Manufacturer: ChemScene
CAS Number: 1599375-58-2
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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)C=1C=CC=CC1NC(C)CC#C
Tpsa
49.33
Logp
2.2085
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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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)C=1C=CC=CC1NC(C)CC#C
Tpsa: 49.33
Logp: 2.2085
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=CC1NC(C)CC#C
Tpsa:
49.33
Logp:
2.2085
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₅Br₂N
Molecular Weight: 321.05
Synonyms: None
SMILES: BrC1=CC=C(C=C1Br)CNC(C)CC
Tpsa: 12.03
Logp: 4.0997
H Acceptors: 1
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:
C₁₁H₁₅Br₂N
Molecular Weight:
321.05
Synonyms:
None
SMILES:
BrC1=CC=C(C=C1Br)CNC(C)CC
Tpsa:
12.03
Logp:
4.0997
H Acceptors:
1
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: C₉H₁₅BrO₃S
Molecular Weight: 283.18
Synonyms: None
SMILES: O=S1(=O)CC(Br)C(OC2CCCC2)C1
Tpsa: 43.37
Logp: 1.5061
H Acceptors: 3
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:
C₉H₁₅BrO₃S
Molecular Weight:
283.18
Synonyms:
None
SMILES:
O=S1(=O)CC(Br)C(OC2CCCC2)C1
Tpsa:
43.37
Logp:
1.5061
H Acceptors:
3
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: C₁₂H₁₃N₃O
Molecular Weight: 215.25
Synonyms: None
SMILES: O=C(NC)NCC1=CC=CC2=CC=CN=C21
Tpsa: 54.02
Logp: 1.6638
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₃N₃O
Molecular Weight:
215.25
Synonyms:
None
SMILES:
O=C(NC)NCC1=CC=CC2=CC=CN=C21
Tpsa:
54.02
Logp:
1.6638
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2