CS-1025554
4-(But-3-yn-1-yl)-1,2,4-triazolidine-3,5-dione
Manufacturer: ChemScene
CAS Number: 1698269-97-4
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆H₇N₃O₂
Molecular Weight
153.14
Synonyms
None
SMILES
O=C1NNC(=O)N1CCC#C
Tpsa
70.65
Logp
-1.112
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇N₃O₂
Molecular Weight: 153.14
Synonyms: None
SMILES: O=C1NNC(=O)N1CCC#C
Tpsa: 70.65
Logp: -1.112
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇N₃O₂
Molecular Weight:
153.14
Synonyms:
None
SMILES:
O=C1NNC(=O)N1CCC#C
Tpsa:
70.65
Logp:
-1.112
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈INO
Molecular Weight: 285.08
Synonyms: None
SMILES: IC=1C=CC(OC)=C2N=CC=CC12
Tpsa: 22.12
Logp: 2.848
H Acceptors: 2
H Donors: 0
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:
C₁₀H₈INO
Molecular Weight:
285.08
Synonyms:
None
SMILES:
IC=1C=CC(OC)=C2N=CC=CC12
Tpsa:
22.12
Logp:
2.848
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂BrN
Molecular Weight: 238.12
Synonyms: None
SMILES: BrC1=CC=CC2=C1N=C(C)C2(C)C
Tpsa: 12.36
Logp: 3.8327
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂BrN
Molecular Weight:
238.12
Synonyms:
None
SMILES:
BrC1=CC=CC2=C1N=C(C)C2(C)C
Tpsa:
12.36
Logp:
3.8327
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrClN₂O
Molecular Weight: 261.50
Synonyms: None
SMILES: O=C1NC2=CC(Cl)=C(Br)C=C2NC1
Tpsa: 41.13
Logp: 2.4665
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrClN₂O
Molecular Weight:
261.50
Synonyms:
None
SMILES:
O=C1NC2=CC(Cl)=C(Br)C=C2NC1
Tpsa:
41.13
Logp:
2.4665
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0