CS-0117139
3-[4-Fluoro(methyl)anilino]propanoic acid
Manufacturer: ChemScene
CAS Number: 944886-90-2
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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
C₁₀H₁₂FNO₂
Molecular Weight
197.21
Synonyms
None
SMILES
O=C(O)CCN(C)C1=CC=C(F)C=C1
Tpsa
40.54
Logp
1.7366
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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: C₁₀H₁₂FNO₂
Molecular Weight: 197.21
Synonyms: None
SMILES: O=C(O)CCN(C)C1=CC=C(F)C=C1
Tpsa: 40.54
Logp: 1.7366
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:
C₁₀H₁₂FNO₂
Molecular Weight:
197.21
Synonyms:
None
SMILES:
O=C(O)CCN(C)C1=CC=C(F)C=C1
Tpsa:
40.54
Logp:
1.7366
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉ClO₅
Molecular Weight: 244.63
Synonyms: VITAS-BB TBB002678
SMILES: O=C(O)COC1=C(OC)C=C(C=O)C=C1Cl
Tpsa: 72.83
Logp: 1.6245
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉ClO₅
Molecular Weight:
244.63
Synonyms:
VITAS-BB TBB002678
SMILES:
O=C(O)COC1=C(OC)C=C(C=O)C=C1Cl
Tpsa:
72.83
Logp:
1.6245
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 95+%
MDL No: MFCD03086149
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀O₂S
Molecular Weight: 182.24
Synonyms: 4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
SMILES: O=C(C1=C2C(CCCC2)=CS1)O
Tpsa: 61.83
Logp: 2.4931
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 7
Purity:
95+%
MDL No:
MFCD03086149
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀O₂S
Molecular Weight:
182.24
Synonyms:
4,5,6,7-Tetrahydro-2-benzothiophene-1-carboxylic acid
SMILES:
O=C(C1=C2C(CCCC2)=CS1)O
Tpsa:
61.83
Logp:
2.4931
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
7
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: UKRORGSYN-BB BBV-158012
SMILES: O=C(O)C1=CC=CC(N2C(C)=CC=C2C)=C1
Tpsa: 42.23
Logp: 2.79234
H Acceptors: 2
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:
C₁₃H₁₃NO₂
Molecular Weight:
215.25
Synonyms:
UKRORGSYN-BB BBV-158012
SMILES:
O=C(O)C1=CC=CC(N2C(C)=CC=C2C)=C1
Tpsa:
42.23
Logp:
2.79234
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2