CS-0326047
3-Fluoro-N-((6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
Manufacturer: ChemScene
CAS Number: 887468-33-9
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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
C₁₄H₁₇FN₄
Molecular Weight
260.31
Synonyms
None
SMILES
FC1=CC(NCC2=NN=C3N2CCCCC3)=CC=C1
Tpsa
42.74
Logp
2.7557
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 887468-33-9 | 3-fluoro-{N}-(6,7,8,9-tetrahydro-5{H}-[1,2,4]triazolo[4,3-{a}]azepin-3-ylmethyl)aniline | A2B Chem | -- |
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: C₁₄H₁₇FN₄
Molecular Weight: 260.31
Synonyms: None
SMILES: FC1=CC(NCC2=NN=C3N2CCCCC3)=CC=C1
Tpsa: 42.74
Logp: 2.7557
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:
C₁₄H₁₇FN₄
Molecular Weight:
260.31
Synonyms:
None
SMILES:
FC1=CC(NCC2=NN=C3N2CCCCC3)=CC=C1
Tpsa:
42.74
Logp:
2.7557
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀F₂N₂OS
Molecular Weight: 292.30
Synonyms: N-[(2,3-Difluorophenyl)carbamothioyl]benzamide
SMILES: S=C(NC1=CC=CC(F)=C1F)NC(C2=CC=CC=C2)=O
Tpsa: 41.13
Logp: 3.0916
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀F₂N₂OS
Molecular Weight:
292.30
Synonyms:
N-[(2,3-Difluorophenyl)carbamothioyl]benzamide
SMILES:
S=C(NC1=CC=CC(F)=C1F)NC(C2=CC=CC=C2)=O
Tpsa:
41.13
Logp:
3.0916
H Acceptors:
2
H Donors:
2
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: C₁₃H₁₆N₂O₂
Molecular Weight: 232.28
Synonyms: 5-(1-Methyl-1H-benzoimidazol-2-yl)-pentanoic acid
SMILES: CN1C2=CC=CC=C2N=C1CCCCC(=O)O
Tpsa: 55.12
Logp: 2.3707
H Acceptors: 3
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:
C₁₃H₁₆N₂O₂
Molecular Weight:
232.28
Synonyms:
5-(1-Methyl-1H-benzoimidazol-2-yl)-pentanoic acid
SMILES:
CN1C2=CC=CC=C2N=C1CCCCC(=O)O
Tpsa:
55.12
Logp:
2.3707
H Acceptors:
3
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: C₁₂H₁₃BrO₄
Molecular Weight: 301.13
Synonyms: 3-BROMO-4-(TETRAHYDRO-2-FURANYLMETHOXY)-BENZOIC ACID
SMILES: C1CC(COC2=C(C=C(C=C2)C(=O)O)Br)OC1
Tpsa: 55.76
Logp: 2.7051
H Acceptors: 3
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:
C₁₂H₁₃BrO₄
Molecular Weight:
301.13
Synonyms:
3-BROMO-4-(TETRAHYDRO-2-FURANYLMETHOXY)-BENZOIC ACID
SMILES:
C1CC(COC2=C(C=C(C=C2)C(=O)O)Br)OC1
Tpsa:
55.76
Logp:
2.7051
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4