CS-1161539
2-(4-Fluorophenyl)-1,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Manufacturer: ChemScene
CAS Number: 1895295-92-7
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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
C₁₄H₁₄FN₃O
Molecular Weight
259.28
Synonyms
None
SMILES
O=C1N=C(NC2=C1CCNCC2)C=3C=CC(F)=CC3
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
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: C₁₄H₁₄FN₃O
Molecular Weight: 259.28
Synonyms: None
SMILES: O=C1N=C(NC2=C1CCNCC2)C=3C=CC(F)=CC3
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄FN₃O
Molecular Weight:
259.28
Synonyms:
None
SMILES:
O=C1N=C(NC2=C1CCNCC2)C=3C=CC(F)=CC3
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅NO₃S
Molecular Weight: 171.17
Synonyms: None
SMILES: O=N(=O)C1=CC=C(S)C=C1O
Tpsa: 63.37
Logp: 1.5891
H Acceptors: 4
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:
C₆H₅NO₃S
Molecular Weight:
171.17
Synonyms:
None
SMILES:
O=N(=O)C1=CC=C(S)C=C1O
Tpsa:
63.37
Logp:
1.5891
H Acceptors:
4
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: C₁₀H₆F₂INO₂
Molecular Weight: 337.06
Synonyms: None
SMILES: N#CC1=CC(=CC(I)=C1CC(=O)O)C(F)F
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₆F₂INO₂
Molecular Weight:
337.06
Synonyms:
None
SMILES:
N#CC1=CC(=CC(I)=C1CC(=O)O)C(F)F
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₅NO
Molecular Weight: 227.13
Synonyms: None
SMILES: FC(F)C1=NC(=CC=C1OC)C(F)(F)F
Tpsa: 22.12
Logp: 3.0466
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₅NO
Molecular Weight:
227.13
Synonyms:
None
SMILES:
FC(F)C1=NC(=CC=C1OC)C(F)(F)F
Tpsa:
22.12
Logp:
3.0466
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2