CS-0560678
1-(2-Methylbenzyl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1504076-49-6
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃N₃O₃
Molecular Weight: 235.24
Synonyms: None
SMILES: O=C(C1=CN(CC2=NC(C(C)C)=NO2)C=C1)O
Tpsa: 81.15
Logp: 1.741
H Acceptors: 5
H Donors: 1
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:
C₁₁H₁₃N₃O₃
Molecular Weight:
235.24
Synonyms:
None
SMILES:
O=C(C1=CN(CC2=NC(C(C)C)=NO2)C=C1)O
Tpsa:
81.15
Logp:
1.741
H Acceptors:
5
H Donors:
1
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: C₁₂H₁₀FNO₂
Molecular Weight: 219.21
Synonyms: None
SMILES: C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)F
Tpsa: 42.23
Logp: 2.3737
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:
C₁₂H₁₀FNO₂
Molecular Weight:
219.21
Synonyms:
None
SMILES:
C1=CC=C(C(=C1)CN2C=CC(=C2)C(=O)O)F
Tpsa:
42.23
Logp:
2.3737
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3