CS-0560676
1-(4-Cyanobenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1505229-47-9
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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
C₁₃H₁₀N₂O₂
Molecular Weight
226.23
Synonyms
1-[(4-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES
C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)C#N
Tpsa
66.02
Logp
2.10628
H Acceptors
3
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂O₂
Molecular Weight: 226.23
Synonyms: 1-[(4-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES: C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)C#N
Tpsa: 66.02
Logp: 2.10628
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₀N₂O₂
Molecular Weight:
226.23
Synonyms:
1-[(4-cyanophenyl)methyl]-1h-pyrrole-3-carboxylic acid
SMILES:
C1=CC(=CC=C1CN2C=CC(=C2)C(=O)O)C#N
Tpsa:
66.02
Logp:
2.10628
H Acceptors:
3
H Donors:
1
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: C₁₂H₉BrFNO₂
Molecular Weight: 298.11
Synonyms: None
SMILES: C1=CN(C(=C1)C(=O)O)CC2=CC(=C(C=C2)F)Br
Tpsa: 42.23
Logp: 3.1362
H Acceptors: 2
H Donors: 1
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:
C₁₂H₉BrFNO₂
Molecular Weight:
298.11
Synonyms:
None
SMILES:
C1=CN(C(=C1)C(=O)O)CC2=CC(=C(C=C2)F)Br
Tpsa:
42.23
Logp:
3.1362
H Acceptors:
2
H Donors:
1
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: C₁₃H₁₃NO₂
Molecular Weight: 215.25
Synonyms: None
SMILES: O=C(C1=CN(CC2=CC=CC=C2C)C=C1)O
Tpsa: 42.23
Logp: 2.54302
H Acceptors: 2
H Donors: 1
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:
C₁₃H₁₃NO₂
Molecular Weight:
215.25
Synonyms:
None
SMILES:
O=C(C1=CN(CC2=CC=CC=C2C)C=C1)O
Tpsa:
42.23
Logp:
2.54302
H Acceptors:
2
H Donors:
1
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: C₈H₁₃N₃
Molecular Weight: 151.21
Synonyms: 1-(2-methylprop-2-en-1-yl)-1h-pyrazol-4-yl]methanamine
SMILES: NCC1=CN(CC(C)=C)N=C1
Tpsa: 43.84
Logp: 0.9179
H Acceptors: 3
H Donors: 1
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:
C₈H₁₃N₃
Molecular Weight:
151.21
Synonyms:
1-(2-methylprop-2-en-1-yl)-1h-pyrazol-4-yl]methanamine
SMILES:
NCC1=CN(CC(C)=C)N=C1
Tpsa:
43.84
Logp:
0.9179
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3