CS-0888076
4-Cyano-2-(methylamino)benzoic acid
Manufacturer: ChemScene
CAS Number: 1369784-65-5
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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
C₉H₈N₂O₂
Molecular Weight
176.17
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#N)C=C1NC
Tpsa
73.12
Logp
1.29818
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C=C1NC
Tpsa: 73.12
Logp: 1.29818
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C=C1NC
Tpsa:
73.12
Logp:
1.29818
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O
Molecular Weight: 160.17
Synonyms: None
SMILES: N#CC1=CC(C=O)=CC=C1NC
Tpsa: 52.89
Logp: 1.41248
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O
Molecular Weight:
160.17
Synonyms:
None
SMILES:
N#CC1=CC(C=O)=CC=C1NC
Tpsa:
52.89
Logp:
1.41248
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇N₃
Molecular Weight: 133.15
Synonyms: None
SMILES: N#CC1=NC=CC(NC)=C1
Tpsa: 48.71
Logp: 0.99498
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇N₃
Molecular Weight:
133.15
Synonyms:
None
SMILES:
N#CC1=NC=CC(NC)=C1
Tpsa:
48.71
Logp:
0.99498
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₈F₂N₂O₃
Molecular Weight: 252.26
Synonyms: None
SMILES: O=C(N1CC(F)(F)[C@H](O)[C@H](N)C1)OC(C)(C)C
Tpsa: 75.79
Logp: 0.5606
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₈F₂N₂O₃
Molecular Weight:
252.26
Synonyms:
None
SMILES:
O=C(N1CC(F)(F)[C@H](O)[C@H](N)C1)OC(C)(C)C
Tpsa:
75.79
Logp:
0.5606
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0