CS-0570004
1,3,4-Triphenyl-4H-1,2,4-triazol-1-ium perchlorate
Manufacturer: ChemScene
CAS Number: 31613-03-3
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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
C₂₀H₁₆ClN₃O₄
Molecular Weight
397.81
Synonyms
1H-1,2,4-Triazolium,1,3,4-triphenyl-,perchlorate
SMILES
O=Cl(=O)([O-])=O.[N+]1(C2=CC=CC=C2)=CN(C3=CC=CC=C3)C(C4=CC=CC=C4)=N1
Tpsa
113.94
Logp
-0.94
H Acceptors
6
H Donors
0
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: C₂₀H₁₆ClN₃O₄
Molecular Weight: 397.81
Synonyms: 1H-1,2,4-Triazolium,1,3,4-triphenyl-,perchlorate
SMILES: O=Cl(=O)([O-])=O.[N+]1(C2=CC=CC=C2)=CN(C3=CC=CC=C3)C(C4=CC=CC=C4)=N1
Tpsa: 113.94
Logp: -0.94
H Acceptors: 6
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:
C₂₀H₁₆ClN₃O₄
Molecular Weight:
397.81
Synonyms:
1H-1,2,4-Triazolium,1,3,4-triphenyl-,perchlorate
SMILES:
O=Cl(=O)([O-])=O.[N+]1(C2=CC=CC=C2)=CN(C3=CC=CC=C3)C(C4=CC=CC=C4)=N1
Tpsa:
113.94
Logp:
-0.94
H Acceptors:
6
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: C₄₄H₆₀N₂
Molecular Weight: 616.96
Synonyms: 1,2-Ethanediamine, N,N'-bis[[3,5-bis(1,1-dimethylethyl)phenyl]methyl]-1,2-diphenyl-, (1R,2R)- (9CI)
SMILES: CC(C1=CC(C(C)(C)C)=CC(CN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NCC4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4)=C1)(C)C
Tpsa: 24.06
Logp: 11.2386
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₆₀N₂
Molecular Weight:
616.96
Synonyms:
1,2-Ethanediamine, N,N'-bis[[3,5-bis(1,1-dimethylethyl)phenyl]methyl]-1,2-diphenyl-, (1R,2R)- (9CI)
SMILES:
CC(C1=CC(C(C)(C)C)=CC(CN[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NCC4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4)=C1)(C)C
Tpsa:
24.06
Logp:
11.2386
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₃N₃O₃
Molecular Weight: 423.55
Synonyms: Carbamic acid, N-[(8α,9S)-6'-methoxycinchonan-9-yl]-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34
Tpsa: 63.69
Logp: 4.7056
H Acceptors: 5
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:
C₂₅H₃₃N₃O₃
Molecular Weight:
423.55
Synonyms:
Carbamic acid, N-[(8α,9S)-6'-methoxycinchonan-9-yl]-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34
Tpsa:
63.69
Logp:
4.7056
H Acceptors:
5
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: C₁₉H₂₅N₃O₄
Molecular Weight: 359.42
Synonyms: None
SMILES: O=C(N1[C@H](C(NC2=CC=CC=C2C3=NCCO3)=O)CCC1)OC(C)(C)C
Tpsa: 80.23
Logp: 2.8014
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:
C₁₉H₂₅N₃O₄
Molecular Weight:
359.42
Synonyms:
None
SMILES:
O=C(N1[C@H](C(NC2=CC=CC=C2C3=NCCO3)=O)CCC1)OC(C)(C)C
Tpsa:
80.23
Logp:
2.8014
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3