CS-0585041
2-Methyl-5-(3-methylbutanamido)benzoic acid
Manufacturer: ChemScene
CAS Number: 1267458-72-9
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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(NC(CC(C)C)=O)=CC=C1C
Tpsa
66.4
Logp
2.67782
H Acceptors
2
H Donors
2
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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: None
SMILES: O=C(O)C1=CC(NC(CC(C)C)=O)=CC=C1C
Tpsa: 66.4
Logp: 2.67782
H Acceptors: 2
H Donors: 2
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
None
SMILES:
O=C(O)C1=CC(NC(CC(C)C)=O)=CC=C1C
Tpsa:
66.4
Logp:
2.67782
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₆S
Molecular Weight: 180.31
Synonyms: None
SMILES: CCCC1=CC=C(CCS)C=C1
Tpsa: 0
Logp: 3.1114
H Acceptors: 1
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:
C₁₁H₁₆S
Molecular Weight:
180.31
Synonyms:
None
SMILES:
CCCC1=CC=C(CCS)C=C1
Tpsa:
0
Logp:
3.1114
H Acceptors:
1
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: C₁₃H₁₃F₃O
Molecular Weight: 242.24
Synonyms: None
SMILES: C1CCC(CC1)C(=O)C2=C(C(=C(C=C2)F)F)F
Tpsa: 17.07
Logp: 3.8669
H Acceptors: 1
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:
C₁₃H₁₃F₃O
Molecular Weight:
242.24
Synonyms:
None
SMILES:
C1CCC(CC1)C(=O)C2=C(C(=C(C=C2)F)F)F
Tpsa:
17.07
Logp:
3.8669
H Acceptors:
1
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: C₉H₉ClO₃S
Molecular Weight: 232.68
Synonyms: Methyl 4-(2-chloro-5-thienyl)-4-oxobutyrate
SMILES: COC(=O)CCC(=O)C1=CC=C(S1)Cl
Tpsa: 43.37
Logp: 2.5374
H Acceptors: 4
H Donors: 0
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:
C₉H₉ClO₃S
Molecular Weight:
232.68
Synonyms:
Methyl 4-(2-chloro-5-thienyl)-4-oxobutyrate
SMILES:
COC(=O)CCC(=O)C1=CC=C(S1)Cl
Tpsa:
43.37
Logp:
2.5374
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4