CS-0766941
Amino-1,3-Benzodioxol-5-ylacetonitrile
Manufacturer: ChemScene
CAS Number: 69810-87-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₈N₂O₂
Molecular Weight
176.17
Synonyms
None
SMILES
NC(C#N)C1=CC2=C(OCO2)C=C1
Tpsa
68.27
Logp
0.93868
H Acceptors
4
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: NC(C#N)C1=CC2=C(OCO2)C=C1
Tpsa: 68.27
Logp: 0.93868
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
NC(C#N)C1=CC2=C(OCO2)C=C1
Tpsa:
68.27
Logp:
0.93868
H Acceptors:
4
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: C₉H₁₁BrO₃
Molecular Weight: 247.09
Synonyms: None
SMILES: Br.COC(=O)C(O)C1=CC=CC=C1
Tpsa: 46.53
Logp: 1.4709
H Acceptors: 3
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:
C₉H₁₁BrO₃
Molecular Weight:
247.09
Synonyms:
None
SMILES:
Br.COC(=O)C(O)C1=CC=CC=C1
Tpsa:
46.53
Logp:
1.4709
H Acceptors:
3
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: C₁₈H₁₇NO
Molecular Weight: 263.33
Synonyms: None
SMILES: [H][C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])C1=CC=CC=C1C2=O
Tpsa: 20.31
Logp: 3.0985
H Acceptors: 2
H Donors: 0
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:
C₁₈H₁₇NO
Molecular Weight:
263.33
Synonyms:
None
SMILES:
[H][C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])C1=CC=CC=C1C2=O
Tpsa:
20.31
Logp:
3.0985
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: C₇H₅BrN₂S
Molecular Weight: 229.10
Synonyms: None
SMILES: BrCC1=CSC2=CN=CN=C12
Tpsa: 25.78
Logp: 2.5862
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅BrN₂S
Molecular Weight:
229.10
Synonyms:
None
SMILES:
BrCC1=CSC2=CN=CN=C12
Tpsa:
25.78
Logp:
2.5862
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1