CS-0438839
(5aR,10bS)-9-Nitro-2-phenyl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium
Manufacturer: ChemScene
CAS Number: 2153490-81-2
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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
C₁₈H₁₅N₄O₃+
Molecular Weight
335.34
Synonyms
None
SMILES
O=[N+]([O-])C1=CC=C2C([C@H](N3C(CO4)=N[N+](C5=CC=CC=C5)=C3)[C@H]4C2)=C1
Tpsa
74.07
Logp
2.1123
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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: C₁₈H₁₅N₄O₃+
Molecular Weight: 335.34
Synonyms: None
SMILES: O=[N+]([O-])C1=CC=C2C([C@H](N3C(CO4)=N[N+](C5=CC=CC=C5)=C3)[C@H]4C2)=C1
Tpsa: 74.07
Logp: 2.1123
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:
C₁₈H₁₅N₄O₃+
Molecular Weight:
335.34
Synonyms:
None
SMILES:
O=[N+]([O-])C1=CC=C2C([C@H](N3C(CO4)=N[N+](C5=CC=CC=C5)=C3)[C@H]4C2)=C1
Tpsa:
74.07
Logp:
2.1123
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: C₃₀H₃₆N₂
Molecular Weight: 424.62
Synonyms: None
SMILES: C12=CC=CC=C1C(C3=N[C@H](C4CCCCC4)CC5=C3C=CC=C5)=N[C@H](C6CCCCC6)C2
Tpsa: 24.72
Logp: 6.975
H Acceptors: 2
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:
C₃₀H₃₆N₂
Molecular Weight:
424.62
Synonyms:
None
SMILES:
C12=CC=CC=C1C(C3=N[C@H](C4CCCCC4)CC5=C3C=CC=C5)=N[C@H](C6CCCCC6)C2
Tpsa:
24.72
Logp:
6.975
H Acceptors:
2
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: C₁₅H₁₆N₂S
Molecular Weight: 256.37
Synonyms: None
SMILES: [C@H]1(C2)N[C@@H](C3=NC(C4=CC=CC=C4)=CS3)[C@@H]2CC1
Tpsa: 24.92
Logp: 3.6231
H Acceptors: 3
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:
C₁₅H₁₆N₂S
Molecular Weight:
256.37
Synonyms:
None
SMILES:
[C@H]1(C2)N[C@@H](C3=NC(C4=CC=CC=C4)=CS3)[C@@H]2CC1
Tpsa:
24.92
Logp:
3.6231
H Acceptors:
3
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: C₂₃H₁₉N₃O
Molecular Weight: 353.42
Synonyms: None
SMILES: O=C1NC[C@]2([H])[C@H]3CC[C@H]([C@H]3C#CC4=CC=NC5=C4C=CC6=C5N=CC=C6)[C@@]21[H]
Tpsa: 54.88
Logp: 3.1527
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₁₉N₃O
Molecular Weight:
353.42
Synonyms:
None
SMILES:
O=C1NC[C@]2([H])[C@H]3CC[C@H]([C@H]3C#CC4=CC=NC5=C4C=CC6=C5N=CC=C6)[C@@]21[H]
Tpsa:
54.88
Logp:
3.1527
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0