CS-0577892
3-(3-(4-Fluorophenyl)propanamido)propanoic acid
Manufacturer: ChemScene
CAS Number: 1099146-19-6
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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
C₁₂H₁₄FNO₃
Molecular Weight
239.24
Synonyms
None
SMILES
O=C(O)CCNC(CCC1=CC=C(F)C=C1)=O
Tpsa
66.4
Logp
1.3492
H Acceptors
2
H Donors
2
Rotatable Bonds
6
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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: C₁₂H₁₄FNO₃
Molecular Weight: 239.24
Synonyms: None
SMILES: O=C(O)CCNC(CCC1=CC=C(F)C=C1)=O
Tpsa: 66.4
Logp: 1.3492
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₄FNO₃
Molecular Weight:
239.24
Synonyms:
None
SMILES:
O=C(O)CCNC(CCC1=CC=C(F)C=C1)=O
Tpsa:
66.4
Logp:
1.3492
H Acceptors:
2
H Donors:
2
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: C₁₄H₁₇ClN₄O
Molecular Weight: 292.76
Synonyms: 1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane
SMILES: ClC1=CC=C(C2=NOC(CN3CCNCCC3)=N2)C=C1
Tpsa: 54.19
Logp: 2.1853
H Acceptors: 5
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:
C₁₄H₁₇ClN₄O
Molecular Weight:
292.76
Synonyms:
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane
SMILES:
ClC1=CC=C(C2=NOC(CN3CCNCCC3)=N2)C=C1
Tpsa:
54.19
Logp:
2.1853
H Acceptors:
5
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: C₁₁H₁₃FO₃
Molecular Weight: 212.22
Synonyms: 2-n-Butoxy-5-fluorobenzoic acid
SMILES: O=C(O)C1=CC(F)=CC=C1OCCCC
Tpsa: 46.53
Logp: 2.7028
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃FO₃
Molecular Weight:
212.22
Synonyms:
2-n-Butoxy-5-fluorobenzoic acid
SMILES:
O=C(O)C1=CC(F)=CC=C1OCCCC
Tpsa:
46.53
Logp:
2.7028
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N₃
Molecular Weight: 215.29
Synonyms: 2-[(Cyclohexylmethyl)amino]isonicotinonitrile
SMILES: C1CCC(CC1)CNC2=NC=CC(=C2)C#N
Tpsa: 48.71
Logp: 2.94548
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:
C₁₃H₁₇N₃
Molecular Weight:
215.29
Synonyms:
2-[(Cyclohexylmethyl)amino]isonicotinonitrile
SMILES:
C1CCC(CC1)CNC2=NC=CC(=C2)C#N
Tpsa:
48.71
Logp:
2.94548
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3