CS-0851661
3-(4-Acetylpiperazin-1-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1500989-31-0
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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
C₁₃H₁₅N₃O
Molecular Weight
229.28
Synonyms
None
SMILES
CC(=O)N1CCN(C2=CC(C#N)=CC=C2)CC1
Tpsa
47.34
Logp
1.22678
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₁₃H₁₅N₃O
Molecular Weight: 229.28
Synonyms: None
SMILES: CC(=O)N1CCN(C2=CC(C#N)=CC=C2)CC1
Tpsa: 47.34
Logp: 1.22678
H Acceptors: 3
H Donors: 0
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:
C₁₃H₁₅N₃O
Molecular Weight:
229.28
Synonyms:
None
SMILES:
CC(=O)N1CCN(C2=CC(C#N)=CC=C2)CC1
Tpsa:
47.34
Logp:
1.22678
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₇NO₄
Molecular Weight: 311.33
Synonyms: None
SMILES: O=C(O)[C@@H]1C2=CC=CC=C2CCN1C(=O)OCC1=CC=CC=C1
Tpsa: 66.84
Logp: 3.0072
H Acceptors: 3
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:
C₁₈H₁₇NO₄
Molecular Weight:
311.33
Synonyms:
None
SMILES:
O=C(O)[C@@H]1C2=CC=CC=C2CCN1C(=O)OCC1=CC=CC=C1
Tpsa:
66.84
Logp:
3.0072
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₉F₃N₂O₃S
Molecular Weight: 318.27
Synonyms: None
SMILES: CC1=C(C(=O)O)SC(NC2=CC=C(OC(F)(F)F)C=C2)=N1
Tpsa: 71.45
Logp: 3.79192
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₉F₃N₂O₃S
Molecular Weight:
318.27
Synonyms:
None
SMILES:
CC1=C(C(=O)O)SC(NC2=CC=C(OC(F)(F)F)C=C2)=N1
Tpsa:
71.45
Logp:
3.79192
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉F₂NO
Molecular Weight: 173.16
Synonyms: None
SMILES: NC1=CC=C(OCCF)C=C1F
Tpsa: 35.25
Logp: 1.7562
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉F₂NO
Molecular Weight:
173.16
Synonyms:
None
SMILES:
NC1=CC=C(OCCF)C=C1F
Tpsa:
35.25
Logp:
1.7562
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3