CS-0214182
rel-4-((3R,5S)-3,5-Dimethylpiperazin-1-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 952391-02-5
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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
C₁₃H₁₇N₃
Molecular Weight
215.29
Synonyms
None
SMILES
N#CC1=CC=C(N2C[C@@H](C)N[C@@H](C)C2)C=C1
Tpsa
39.06
Logp
1.74488
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₁₃H₁₇N₃
Molecular Weight: 215.29
Synonyms: None
SMILES: N#CC1=CC=C(N2C[C@@H](C)N[C@@H](C)C2)C=C1
Tpsa: 39.06
Logp: 1.74488
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₇N₃
Molecular Weight:
215.29
Synonyms:
None
SMILES:
N#CC1=CC=C(N2C[C@@H](C)N[C@@H](C)C2)C=C1
Tpsa:
39.06
Logp:
1.74488
H Acceptors:
3
H Donors:
1
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: C₁₈H₂₅N₃O₂
Molecular Weight: 315.41
Synonyms: None
SMILES: N#CC1=CC=C(C=C1)N2C[C@H](N([C@H](C2)C)C(OC(C)(C)C)=O)C
Tpsa: 56.57
Logp: 3.39238
H Acceptors: 4
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:
C₁₈H₂₅N₃O₂
Molecular Weight:
315.41
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1)N2C[C@H](N([C@H](C2)C)C(OC(C)(C)C)=O)C
Tpsa:
56.57
Logp:
3.39238
H Acceptors:
4
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: C₆H₃FN₂Se
Molecular Weight: 201.06
Synonyms: 2,1,3-Benzoselenadiazole, 5-fluoro-
SMILES: FC1=CC2=N[Se]N=C2C=C1
Tpsa: 25.78
Logp: 0.8259
H Acceptors: 2
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:
C₆H₃FN₂Se
Molecular Weight:
201.06
Synonyms:
2,1,3-Benzoselenadiazole, 5-fluoro-
SMILES:
FC1=CC2=N[Se]N=C2C=C1
Tpsa:
25.78
Logp:
0.8259
H Acceptors:
2
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: C₆H₆FN₃O₂
Molecular Weight: 171.13
Synonyms: 1,2-Benzenediamine, 4-fluoro-3-nitro-
SMILES: NC1=CC=C(F)C([N+]([O-])=O)=C1N
Tpsa: 95.18
Logp: 0.8983
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:
C₆H₆FN₃O₂
Molecular Weight:
171.13
Synonyms:
1,2-Benzenediamine, 4-fluoro-3-nitro-
SMILES:
NC1=CC=C(F)C([N+]([O-])=O)=C1N
Tpsa:
95.18
Logp:
0.8983
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1