CS-0104932
1-(3-(Aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 640287-98-5
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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
C₁₂H₁₀F₃N₃O₂
Molecular Weight
285.22
Synonyms
None
SMILES
O=C(C1=CC(C(F)(F)F)=NN1C2=CC=CC(CN)=C2)O
Tpsa
81.14
Logp
2.048
H Acceptors
4
H Donors
2
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 640287-98-5 | 1-(3-(Aminomethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid | A2B Chem | -- |
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: C₁₂H₁₀F₃N₃O₂
Molecular Weight: 285.22
Synonyms: None
SMILES: O=C(C1=CC(C(F)(F)F)=NN1C2=CC=CC(CN)=C2)O
Tpsa: 81.14
Logp: 2.048
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀F₃N₃O₂
Molecular Weight:
285.22
Synonyms:
None
SMILES:
O=C(C1=CC(C(F)(F)F)=NN1C2=CC=CC(CN)=C2)O
Tpsa:
81.14
Logp:
2.048
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD28899328
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₁H₄₄N₄O₃
Molecular Weight: 640.81
Synonyms: None
SMILES: OCC(C=C1)=CC=C1NC([C@@H](NC([C@@H](N)CC2=CC=CC=C2)=O)CCCCNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)=O
Tpsa: 121.68
Logp: 5.6878
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 16
Purity:
98%
MDL No:
MFCD28899328
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₄₄N₄O₃
Molecular Weight:
640.81
Synonyms:
None
SMILES:
OCC(C=C1)=CC=C1NC([C@@H](NC([C@@H](N)CC2=CC=CC=C2)=O)CCCCNC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)=O
Tpsa:
121.68
Logp:
5.6878
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
16
Purity: 98%
MDL No: MFCD28898938
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₃H₅₇N₅O₉
Molecular Weight: 1028.15
Synonyms: None
SMILES: O=C(N)[C@H](CCCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N(C([C@H](CC4=CC=CC=C4)NC(OCC5C6=C(C7=C5C=CC=C7)C=CC=C6)=O)=O)C8=CC=C(COC(OC9=CC=C([N+]([O-])=O)C=C9)=O)C=C8
Tpsa: 192.43
Logp: 11.3993
H Acceptors: 10
H Donors: 3
Rotatable Bonds: 22
Purity:
98%
MDL No:
MFCD28898938
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₃H₅₇N₅O₉
Molecular Weight:
1028.15
Synonyms:
None
SMILES:
O=C(N)[C@H](CCCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N(C([C@H](CC4=CC=CC=C4)NC(OCC5C6=C(C7=C5C=CC=C7)C=CC=C6)=O)=O)C8=CC=C(COC(OC9=CC=C([N+]([O-])=O)C=C9)=O)C=C8
Tpsa:
192.43
Logp:
11.3993
H Acceptors:
10
H Donors:
3
Rotatable Bonds:
22
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₄₆N₆O₁₂
Molecular Weight: 802.83
Synonyms: None
SMILES: O=C(N)[C@H](CCCCNC(OCC=C)=O)N(C([C@H](CC1=CC=CC=C1)NC([C@@H](C)NC(OCC=C)=O)=O)=O)C2=CC=C(COC(OC3=CC=C([N+]([O-])=O)C=C3)=O)C=C2
Tpsa: 247.83
Logp: 4.608
H Acceptors: 12
H Donors: 4
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₆N₆O₁₂
Molecular Weight:
802.83
Synonyms:
None
SMILES:
O=C(N)[C@H](CCCCNC(OCC=C)=O)N(C([C@H](CC1=CC=CC=C1)NC([C@@H](C)NC(OCC=C)=O)=O)=O)C2=CC=C(COC(OC3=CC=C([N+]([O-])=O)C=C3)=O)C=C2
Tpsa:
247.83
Logp:
4.608
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
22