CS-0747332
1-(Phenylmethyl)-1H-1,2,4-triazole-5-carboxaldehyde
Manufacturer: ChemScene
CAS Number: 111340-53-5
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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
C₁₀H₉N₃O
Molecular Weight
187.20
Synonyms
None
SMILES
O=CC1=NC=NN1CC2=CC=CC=C2
Tpsa
47.78
Logp
1.1389
H Acceptors
4
H Donors
0
Rotatable Bonds
3
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: C₁₀H₉N₃O
Molecular Weight: 187.20
Synonyms: None
SMILES: O=CC1=NC=NN1CC2=CC=CC=C2
Tpsa: 47.78
Logp: 1.1389
H Acceptors: 4
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:
C₁₀H₉N₃O
Molecular Weight:
187.20
Synonyms:
None
SMILES:
O=CC1=NC=NN1CC2=CC=CC=C2
Tpsa:
47.78
Logp:
1.1389
H Acceptors:
4
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: C₁₆H₂₂BrNO₃
Molecular Weight: 356.25
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)OC1=CC=CC=C1Br
Tpsa: 38.77
Logp: 4.2274
H Acceptors: 3
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:
C₁₆H₂₂BrNO₃
Molecular Weight:
356.25
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CCCC(C1)OC1=CC=CC=C1Br
Tpsa:
38.77
Logp:
4.2274
H Acceptors:
3
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: C₂₂H₃₂N₂O₅
Molecular Weight: 404.50
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CCC2(CCC(CO)N2C(=O)OCC2=CC=CC=C2)CC1
Tpsa: 79.31
Logp: 3.5496
H Acceptors: 5
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:
C₂₂H₃₂N₂O₅
Molecular Weight:
404.50
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CCC2(CCC(CO)N2C(=O)OCC2=CC=CC=C2)CC1
Tpsa:
79.31
Logp:
3.5496
H Acceptors:
5
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: C₂₂H₂₉N₃O₄
Molecular Weight: 399.48
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1C(CCC11CCN(CC1)C(=O)OCC1=CC=CC=C1)C#N
Tpsa: 82.87
Logp: 4.08088
H Acceptors: 5
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:
C₂₂H₂₉N₃O₄
Molecular Weight:
399.48
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1C(CCC11CCN(CC1)C(=O)OCC1=CC=CC=C1)C#N
Tpsa:
82.87
Logp:
4.08088
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2