CS-1071602
3-(3-Butyl-4H-1,2,4-triazol-4-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 2748245-28-3
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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
C₉H₁₅N₃O₂
Molecular Weight
197.23
Synonyms
None
SMILES
O=C(O)CCN1C=NN=C1CCCC
Tpsa
68.01
Logp
1.0954
H Acceptors
4
H Donors
1
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: C₉H₁₅N₃O₂
Molecular Weight: 197.23
Synonyms: None
SMILES: O=C(O)CCN1C=NN=C1CCCC
Tpsa: 68.01
Logp: 1.0954
H Acceptors: 4
H Donors: 1
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:
C₉H₁₅N₃O₂
Molecular Weight:
197.23
Synonyms:
None
SMILES:
O=C(O)CCN1C=NN=C1CCCC
Tpsa:
68.01
Logp:
1.0954
H Acceptors:
4
H Donors:
1
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: C₉H₁₉N
Molecular Weight: 141.25
Synonyms: None
SMILES: [C@@H](CCCC=C)(C(C)C)N
Tpsa: 26.02
Logp: 2.326
H Acceptors: 1
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:
C₉H₁₉N
Molecular Weight:
141.25
Synonyms:
None
SMILES:
[C@@H](CCCC=C)(C(C)C)N
Tpsa:
26.02
Logp:
2.326
H Acceptors:
1
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: C₁₃H₂₂N₂O₂
Molecular Weight: 238.33
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCC#CC1(NCCC1)C
Tpsa: 50.36
Logp: 1.6566
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂N₂O₂
Molecular Weight:
238.33
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCC#CC1(NCCC1)C
Tpsa:
50.36
Logp:
1.6566
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆F₃NO
Molecular Weight: 177.12
Synonyms: None
SMILES: O=CC=1C=CN(C1C(F)(F)F)C
Tpsa: 22
Logp: 1.8564
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆F₃NO
Molecular Weight:
177.12
Synonyms:
None
SMILES:
O=CC=1C=CN(C1C(F)(F)F)C
Tpsa:
22
Logp:
1.8564
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1