CS-1072206
2-(3-Isobutyl-4H-1,2,4-triazol-4-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 2749850-84-6
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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
C₈H₁₃N₃O₂
Molecular Weight
183.21
Synonyms
None
SMILES
O=C(O)CN1C=NN=C1CC(C)C
Tpsa
68.01
Logp
0.5612
H Acceptors
4
H Donors
1
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: C₈H₁₃N₃O₂
Molecular Weight: 183.21
Synonyms: None
SMILES: O=C(O)CN1C=NN=C1CC(C)C
Tpsa: 68.01
Logp: 0.5612
H Acceptors: 4
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:
C₈H₁₃N₃O₂
Molecular Weight:
183.21
Synonyms:
None
SMILES:
O=C(O)CN1C=NN=C1CC(C)C
Tpsa:
68.01
Logp:
0.5612
H Acceptors:
4
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: C₁₁H₂₀N₂O
Molecular Weight: 196.29
Synonyms: None
SMILES: C(#CCN(C)C)COC1CCNCC1
Tpsa: 24.5
Logp: 0.32
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:
C₁₁H₂₀N₂O
Molecular Weight:
196.29
Synonyms:
None
SMILES:
C(#CCN(C)C)COC1CCNCC1
Tpsa:
24.5
Logp:
0.32
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: C₈H₁₃BrF₂
Molecular Weight: 227.09
Synonyms: None
SMILES: FC(F)CC1(C)CC(CBr)C1
Tpsa: 0
Logp: 3.4528
H Acceptors: 0
H Donors: 0
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:
C₈H₁₃BrF₂
Molecular Weight:
227.09
Synonyms:
None
SMILES:
FC(F)CC1(C)CC(CBr)C1
Tpsa:
0
Logp:
3.4528
H Acceptors:
0
H Donors:
0
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: C₈H₁₂F₂O₂
Molecular Weight: 178.18
Synonyms: None
SMILES: O=C(O)C1CC(C)(CC(F)F)C1
Tpsa: 37.3
Logp: 2.1425
H Acceptors: 1
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:
C₈H₁₂F₂O₂
Molecular Weight:
178.18
Synonyms:
None
SMILES:
O=C(O)C1CC(C)(CC(F)F)C1
Tpsa:
37.3
Logp:
2.1425
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3