CS-0643278
3-[1-[(7-Chloro-4-methylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]-2-(trifluoromethyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 2654746-39-9
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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
C₁₈H₁₃ClF₃N₅
Molecular Weight
391.78
Synonyms
None
SMILES
N#CC1=CC=CC(C(NC2=NN=C(C)C3=CN=C(Cl)C=C32)C)=C1C(F)(F)F
Tpsa
74.49
Logp
5.0502
H Acceptors
5
H Donors
1
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: C₁₈H₁₃ClF₃N₅
Molecular Weight: 391.78
Synonyms: None
SMILES: N#CC1=CC=CC(C(NC2=NN=C(C)C3=CN=C(Cl)C=C32)C)=C1C(F)(F)F
Tpsa: 74.49
Logp: 5.0502
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:
C₁₈H₁₃ClF₃N₅
Molecular Weight:
391.78
Synonyms:
None
SMILES:
N#CC1=CC=CC(C(NC2=NN=C(C)C3=CN=C(Cl)C=C32)C)=C1C(F)(F)F
Tpsa:
74.49
Logp:
5.0502
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: C₁₁H₁₁IN₂O
Molecular Weight: 314.12
Synonyms: None
SMILES: CC1(OC2=CC3=C(NN=C3I)C=C2)CC1
Tpsa: 37.91
Logp: 3.0988
H Acceptors: 2
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:
C₁₁H₁₁IN₂O
Molecular Weight:
314.12
Synonyms:
None
SMILES:
CC1(OC2=CC3=C(NN=C3I)C=C2)CC1
Tpsa:
37.91
Logp:
3.0988
H Acceptors:
2
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: C₁₂H₁₄BrN
Molecular Weight: 252.15
Synonyms: None
SMILES: CN(C1)CC2=C(C31CC3)C=CC(Br)=C2
Tpsa: 3.24
Logp: 2.9261
H Acceptors: 1
H Donors: 0
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:
C₁₂H₁₄BrN
Molecular Weight:
252.15
Synonyms:
None
SMILES:
CN(C1)CC2=C(C31CC3)C=CC(Br)=C2
Tpsa:
3.24
Logp:
2.9261
H Acceptors:
1
H Donors:
0
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: C₉H₁₀F₄N₂
Molecular Weight: 222.18
Synonyms: None
SMILES: N[C@H](C)C1=CC(C(F)(F)F)=C(F)C(N)=C1
Tpsa: 52.04
Logp: 2.4464
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀F₄N₂
Molecular Weight:
222.18
Synonyms:
None
SMILES:
N[C@H](C)C1=CC(C(F)(F)F)=C(F)C(N)=C1
Tpsa:
52.04
Logp:
2.4464
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1