CS-0357622
1-(2,5-Dimethylbenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1267237-19-3
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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
C₁₃H₁₅N₃O₂
Molecular Weight
245.28
Synonyms
None
SMILES
O=C(C1=C(C)N(CC2=CC(C)=CC=C2C)N=N1)O
Tpsa
68.01
Logp
1.94986
H Acceptors
4
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: C₁₃H₁₅N₃O₂
Molecular Weight: 245.28
Synonyms: None
SMILES: O=C(C1=C(C)N(CC2=CC(C)=CC=C2C)N=N1)O
Tpsa: 68.01
Logp: 1.94986
H Acceptors: 4
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:
C₁₃H₁₅N₃O₂
Molecular Weight:
245.28
Synonyms:
None
SMILES:
O=C(C1=C(C)N(CC2=CC(C)=CC=C2C)N=N1)O
Tpsa:
68.01
Logp:
1.94986
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₄N₂O₂
Molecular Weight: 264.36
Synonyms: 2-Aminoiophthalic acid
SMILES: CNC1CCN(CC1)CC2=C(C=CC=C2OC)OC
Tpsa: 33.73
Logp: 1.8876
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₄N₂O₂
Molecular Weight:
264.36
Synonyms:
2-Aminoiophthalic acid
SMILES:
CNC1CCN(CC1)CC2=C(C=CC=C2OC)OC
Tpsa:
33.73
Logp:
1.8876
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂F₃N₃O₆
Molecular Weight: 363.25
Synonyms: 1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERIDINE-4-CARBOXYLIC ACID
SMILES: O=C(C1CCN(C2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)CC1)O
Tpsa: 126.82
Logp: 2.8228
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂F₃N₃O₆
Molecular Weight:
363.25
Synonyms:
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERIDINE-4-CARBOXYLIC ACID
SMILES:
O=C(C1CCN(C2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)CC1)O
Tpsa:
126.82
Logp:
2.8228
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: MFCD07367622
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₃NO₂
Molecular Weight: 249.35
Synonyms: N,N-Didesmethylvenlafaxine
SMILES: COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD07367622
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₃NO₂
Molecular Weight:
249.35
Synonyms:
N,N-Didesmethylvenlafaxine
SMILES:
COC1=CC=C(C=C1)C(CN)C2(CCCCC2)O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A