CS-0561790
4-((N-methylbutyramido)methyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1183478-58-1
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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
C₁₃H₁₇NO₃
Molecular Weight
235.28
Synonyms
None
SMILES
O=C(O)C1=CC=C(CN(C)C(CCC)=O)C=C1
Tpsa
57.61
Logp
2.1433
H Acceptors
2
H Donors
1
Rotatable Bonds
5
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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: None
SMILES: O=C(O)C1=CC=C(CN(C)C(CCC)=O)C=C1
Tpsa: 57.61
Logp: 2.1433
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CN(C)C(CCC)=O)C=C1
Tpsa:
57.61
Logp:
2.1433
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: C₇H₉BrN₂
Molecular Weight: 201.06
Synonyms: 4-bromo-1-(2-methylprop-2-en-1-yl)-1h-pyrazole
SMILES: CC(=C)CN1C=C(C=N1)Br
Tpsa: 17.82
Logp: 2.2217
H Acceptors: 2
H Donors: 0
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:
C₇H₉BrN₂
Molecular Weight:
201.06
Synonyms:
4-bromo-1-(2-methylprop-2-en-1-yl)-1h-pyrazole
SMILES:
CC(=C)CN1C=C(C=N1)Br
Tpsa:
17.82
Logp:
2.2217
H Acceptors:
2
H Donors:
0
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: C₁₂H₁₅F₂NO
Molecular Weight: 227.25
Synonyms: None
SMILES: FC=1C=C(F)C=C(C1)CNCC2OCCC2
Tpsa: 21.26
Logp: 2.2334
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:
C₁₂H₁₅F₂NO
Molecular Weight:
227.25
Synonyms:
None
SMILES:
FC=1C=C(F)C=C(C1)CNCC2OCCC2
Tpsa:
21.26
Logp:
2.2334
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: C₈H₈BrN₃S
Molecular Weight: 258.14
Synonyms: None
SMILES: CC1=NC(=CS1)CN2C=C(C=N2)Br
Tpsa: 30.71
Logp: 2.45882
H Acceptors: 4
H Donors: 0
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:
C₈H₈BrN₃S
Molecular Weight:
258.14
Synonyms:
None
SMILES:
CC1=NC(=CS1)CN2C=C(C=N2)Br
Tpsa:
30.71
Logp:
2.45882
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2