CS-0560686
1-Phenethyl-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1500069-43-1
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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
1-(2-phenylethyl)-1h-pyrrole-3-carboxylic acid
SMILES
O=C(C1=CN(CCC2=CC=CC=C2)C=C1)O
Tpsa
42.23
Logp
2.429
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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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: 1-(2-phenylethyl)-1h-pyrrole-3-carboxylic acid
SMILES: O=C(C1=CN(CCC2=CC=CC=C2)C=C1)O
Tpsa: 42.23
Logp: 2.429
H Acceptors: 2
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:
C₁₃H₁₃NO₂
Molecular Weight:
215.25
Synonyms:
1-(2-phenylethyl)-1h-pyrrole-3-carboxylic acid
SMILES:
O=C(C1=CN(CCC2=CC=CC=C2)C=C1)O
Tpsa:
42.23
Logp:
2.429
H Acceptors:
2
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: C₁₂H₁₈N₂O₃
Molecular Weight: 238.28
Synonyms: 1-{[butyl(methyl)carbamoyl]methyl}-1h-pyrrole-2-carboxylic acid
SMILES: CCCCN(C)C(=O)CN1C=CC=C1C(=O)O
Tpsa: 62.54
Logp: 1.4448
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₈N₂O₃
Molecular Weight:
238.28
Synonyms:
1-{[butyl(methyl)carbamoyl]methyl}-1h-pyrrole-2-carboxylic acid
SMILES:
CCCCN(C)C(=O)CN1C=CC=C1C(=O)O
Tpsa:
62.54
Logp:
1.4448
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂N₂O₂S
Molecular Weight: 258.38
Synonyms: None
SMILES: C1CSCCC1N2CCN(CC2)CCC(=O)O
Tpsa: 43.78
Logp: 0.9743
H Acceptors: 4
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:
C₁₂H₂₂N₂O₂S
Molecular Weight:
258.38
Synonyms:
None
SMILES:
C1CSCCC1N2CCN(CC2)CCC(=O)O
Tpsa:
43.78
Logp:
0.9743
H Acceptors:
4
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: C₁₁H₁₄F₂N₂O₂
Molecular Weight: 244.24
Synonyms: None
SMILES: C1CCC(CC1)N2C(=C(C=N2)C(=O)O)C(F)F
Tpsa: 55.12
Logp: 3.0241
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:
C₁₁H₁₄F₂N₂O₂
Molecular Weight:
244.24
Synonyms:
None
SMILES:
C1CCC(CC1)N2C(=C(C=N2)C(=O)O)C(F)F
Tpsa:
55.12
Logp:
3.0241
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3