CS-0566935
3-(3-Aminophenyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 59443-93-5
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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
C₉H₈N₂O
Molecular Weight
160.17
Synonyms
3-(3-amino-phenyl)-3-oxo-propionitrile
SMILES
N#CCC(C1=CC(N)=CC=C1)=O
Tpsa
66.88
Logp
1.36518
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O
Molecular Weight: 160.17
Synonyms: 3-(3-amino-phenyl)-3-oxo-propionitrile
SMILES: N#CCC(C1=CC(N)=CC=C1)=O
Tpsa: 66.88
Logp: 1.36518
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:
C₉H₈N₂O
Molecular Weight:
160.17
Synonyms:
3-(3-amino-phenyl)-3-oxo-propionitrile
SMILES:
N#CCC(C1=CC(N)=CC=C1)=O
Tpsa:
66.88
Logp:
1.36518
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: C₄H₈N₂O₃S
Molecular Weight: 164.18
Synonyms: 2H-1,2-Thiazin-3(4H)-one, 4-aminodihydro-, 1,1-dioxide
SMILES: O=C(C(N)CC1)NS1(=O)=O
Tpsa: 89.26
Logp: -1.8366
H Acceptors: 4
H Donors: 2
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:
C₄H₈N₂O₃S
Molecular Weight:
164.18
Synonyms:
2H-1,2-Thiazin-3(4H)-one, 4-aminodihydro-, 1,1-dioxide
SMILES:
O=C(C(N)CC1)NS1(=O)=O
Tpsa:
89.26
Logp:
-1.8366
H Acceptors:
4
H Donors:
2
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: C₁₁H₉NO₂
Molecular Weight: 187.19
Synonyms: None
SMILES: O=C(C1=CC=C2C=CC(N)=CC2=C1)O
Tpsa: 63.32
Logp: 2.1202
H Acceptors: 2
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:
C₁₁H₉NO₂
Molecular Weight:
187.19
Synonyms:
None
SMILES:
O=C(C1=CC=C2C=CC(N)=CC2=C1)O
Tpsa:
63.32
Logp:
2.1202
H Acceptors:
2
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: C₈H₉BrN₂O₂S
Molecular Weight: 277.14
Synonyms: None
SMILES: O=S(C1=CC2=C(C=C1Br)CCN2)(N)=O
Tpsa: 72.19
Logp: 1.0645
H Acceptors: 3
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:
C₈H₉BrN₂O₂S
Molecular Weight:
277.14
Synonyms:
None
SMILES:
O=S(C1=CC2=C(C=C1Br)CCN2)(N)=O
Tpsa:
72.19
Logp:
1.0645
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1