CS-0574005
4-Methoxy-3-((pyridin-4-ylmethyl)amino)benzoic acid
Manufacturer: ChemScene
CAS Number: 883541-81-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Weight
258.27
Synonyms
4-Methoxy-3-[(4-pyridinylmethyl)amino]benzoic acid
SMILES
COC1=C(C=C(C=C1)C(=O)O)NCC2=CC=NC=C2
Tpsa
71.45
Logp
2.4005
H Acceptors
4
H Donors
2
Rotatable Bonds
5
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₂O₃
Molecular Weight: 258.27
Synonyms: 4-Methoxy-3-[(4-pyridinylmethyl)amino]benzoic acid
SMILES: COC1=C(C=C(C=C1)C(=O)O)NCC2=CC=NC=C2
Tpsa: 71.45
Logp: 2.4005
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄N₂O₃
Molecular Weight:
258.27
Synonyms:
4-Methoxy-3-[(4-pyridinylmethyl)amino]benzoic acid
SMILES:
COC1=C(C=C(C=C1)C(=O)O)NCC2=CC=NC=C2
Tpsa:
71.45
Logp:
2.4005
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄O₂
Molecular Weight: 226.27
Synonyms: None
SMILES: C1CC1COC2=CC=C(C3=CC=CC=C32)C=O
Tpsa: 26.3
Logp: 3.4411
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄O₂
Molecular Weight:
226.27
Synonyms:
None
SMILES:
C1CC1COC2=CC=C(C3=CC=CC=C32)C=O
Tpsa:
26.3
Logp:
3.4411
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂OS
Molecular Weight: 180.27
Synonyms: None
SMILES: CCCSC1=CC=CC(=C1)C=O
Tpsa: 17.07
Logp: 3.0012
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂OS
Molecular Weight:
180.27
Synonyms:
None
SMILES:
CCCSC1=CC=CC(=C1)C=O
Tpsa:
17.07
Logp:
3.0012
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃NO₆S₂
Molecular Weight: 367.40
Synonyms: {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]
Tpsa: 114.58
Logp: 2.7454
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₃NO₆S₂
Molecular Weight:
367.40
Synonyms:
{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
SMILES:
C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]
Tpsa:
114.58
Logp:
2.7454
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7