CS-1001623
β-[(4-Chlorophenyl)methyl]-α-(1,1-dimethylethyl)-4H-1,2,4-triazole-4-ethanol
Manufacturer: ChemScene
CAS Number: 152450-21-0
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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
C₁₅H₂₀ClN₃O
Molecular Weight
293.79
Synonyms
None
SMILES
ClC1=CC=C(C=C1)CC(N2C=NN=C2)C(O)C(C)(C)C
Tpsa
50.94
Logp
3.1223
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₅H₂₀ClN₃O
Molecular Weight: 293.79
Synonyms: None
SMILES: ClC1=CC=C(C=C1)CC(N2C=NN=C2)C(O)C(C)(C)C
Tpsa: 50.94
Logp: 3.1223
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:
C₁₅H₂₀ClN₃O
Molecular Weight:
293.79
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)CC(N2C=NN=C2)C(O)C(C)(C)C
Tpsa:
50.94
Logp:
3.1223
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: C₁₀H₁₀O₂
Molecular Weight: 162.19
Synonyms: None
SMILES: C(=C(\C(O)=O)/C)\C1=CC=CC=C1
Tpsa: 37.3
Logp: 2.1745
H Acceptors: 1
H Donors: 1
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:
C₁₀H₁₀O₂
Molecular Weight:
162.19
Synonyms:
None
SMILES:
C(=C(\C(O)=O)/C)\C1=CC=CC=C1
Tpsa:
37.3
Logp:
2.1745
H Acceptors:
1
H Donors:
1
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: C₁₅H₂₄ClN₇O
Molecular Weight: 353.85
Synonyms: None
SMILES: O=C(N)NCCCCCCNC(=N)NC(=N)NC1=CC=C(Cl)C=C1
Tpsa: 138.91
Logp: 2.02934
H Acceptors: 3
H Donors: 7
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₄ClN₇O
Molecular Weight:
353.85
Synonyms:
None
SMILES:
O=C(N)NCCCCCCNC(=N)NC(=N)NC1=CC=C(Cl)C=C1
Tpsa:
138.91
Logp:
2.02934
H Acceptors:
3
H Donors:
7
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₀O₅
Molecular Weight: 352.38
Synonyms: None
SMILES: C(O)[C@@H]1[C@]2([C@@](C[C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa: 72.83
Logp: 2.8229
H Acceptors: 5
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:
C₂₁H₂₀O₅
Molecular Weight:
352.38
Synonyms:
None
SMILES:
C(O)[C@@H]1[C@]2([C@@](C[C@@H]1OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)(OC(=O)C2)[H])[H]
Tpsa:
72.83
Logp:
2.8229
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4