CS-0333399
N-isobutyl-5-methylisoxazole-3-carboxamide
Manufacturer: ChemScene
CAS Number: 27144-31-6
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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
C₉H₁₄N₂O₂
Molecular Weight
182.22
Synonyms
None
SMILES
O=C(C1=NOC(C)=C1)NCC(C)C
Tpsa
55.13
Logp
1.36882
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₉H₁₄N₂O₂
Molecular Weight: 182.22
Synonyms: None
SMILES: O=C(C1=NOC(C)=C1)NCC(C)C
Tpsa: 55.13
Logp: 1.36882
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:
C₉H₁₄N₂O₂
Molecular Weight:
182.22
Synonyms:
None
SMILES:
O=C(C1=NOC(C)=C1)NCC(C)C
Tpsa:
55.13
Logp:
1.36882
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉N₃OS
Molecular Weight: 231.27
Synonyms: N'-[(E)-pyridin-3-ylmethylidene]thiophene-2-carbohydrazide
SMILES: C1=CN=CC(=C1)/C=N/NC(=O)C2=CC=CS2
Tpsa: 54.35
Logp: 1.907
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₉N₃OS
Molecular Weight:
231.27
Synonyms:
N'-[(E)-pyridin-3-ylmethylidene]thiophene-2-carbohydrazide
SMILES:
C1=CN=CC(=C1)/C=N/NC(=O)C2=CC=CS2
Tpsa:
54.35
Logp:
1.907
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂O₃
Molecular Weight: 180.20
Synonyms: Benzoic acid, 4-hydroxy-2,5-dimethyl-, methyl ester
SMILES: CC1=C(C=C(C)C(=C1)O)C(=O)OC
Tpsa: 46.53
Logp: 1.79564
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂O₃
Molecular Weight:
180.20
Synonyms:
Benzoic acid, 4-hydroxy-2,5-dimethyl-, methyl ester
SMILES:
CC1=C(C=C(C)C(=C1)O)C(=O)OC
Tpsa:
46.53
Logp:
1.79564
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂N₂O₂
Molecular Weight: 204.23
Synonyms: (S)-3-Amino-4-(4-cyano-phenyl)-butyric acid-HCl
SMILES: OC(C[C@@H](N)CC1=CC=C(C=C1)C#N)=O
Tpsa: 87.11
Logp: 0.90278
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂N₂O₂
Molecular Weight:
204.23
Synonyms:
(S)-3-Amino-4-(4-cyano-phenyl)-butyric acid-HCl
SMILES:
OC(C[C@@H](N)CC1=CC=C(C=C1)C#N)=O
Tpsa:
87.11
Logp:
0.90278
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4