CS-0562625
2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-5-nitrobenzonitrile
Manufacturer: ChemScene
CAS Number: 945367-11-3
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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
C₁₅H₁₁N₃O₄
Molecular Weight
297.27
Synonyms
2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile
SMILES
N#CC1=CC([N+]([O-])=O)=CC=C1NCC2=CC=C(OCO3)C3=C2
Tpsa
97.42
Logp
2.80728
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₁₅H₁₁N₃O₄
Molecular Weight: 297.27
Synonyms: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile
SMILES: N#CC1=CC([N+]([O-])=O)=CC=C1NCC2=CC=C(OCO3)C3=C2
Tpsa: 97.42
Logp: 2.80728
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₁N₃O₄
Molecular Weight:
297.27
Synonyms:
2-[(1,3-benzodioxol-5-ylmethyl)amino]-5-nitrobenzonitrile
SMILES:
N#CC1=CC([N+]([O-])=O)=CC=C1NCC2=CC=C(OCO3)C3=C2
Tpsa:
97.42
Logp:
2.80728
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₄N₂O₃
Molecular Weight: 188.14
Synonyms: 7-cyano-1,3-benzoxazole-2-carboxylic acid
SMILES: O=C(C1=NC2=CC=CC(C#N)=C2O1)O
Tpsa: 87.12
Logp: 1.39768
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:
C₉H₄N₂O₃
Molecular Weight:
188.14
Synonyms:
7-cyano-1,3-benzoxazole-2-carboxylic acid
SMILES:
O=C(C1=NC2=CC=CC(C#N)=C2O1)O
Tpsa:
87.12
Logp:
1.39768
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: C₉H₉FN₄
Molecular Weight: 192.19
Synonyms: [3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILES: C1=CC(=CC(=C1)F)C2=NNC(=N2)CN
Tpsa: 67.59
Logp: 1.0695
H Acceptors: 3
H Donors: 2
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:
C₉H₉FN₄
Molecular Weight:
192.19
Synonyms:
[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILES:
C1=CC(=CC(=C1)F)C2=NNC(=N2)CN
Tpsa:
67.59
Logp:
1.0695
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₅BrN₂O
Molecular Weight: 271.15
Synonyms: N-(5-bromo-2-pyridinyl)-2,2-dimethylbutanamide
SMILES: CCC(C)(C)C(NC1=NC=C(Br)C=C1)=O
Tpsa: 41.99
Logp: 3.2188
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅BrN₂O
Molecular Weight:
271.15
Synonyms:
N-(5-bromo-2-pyridinyl)-2,2-dimethylbutanamide
SMILES:
CCC(C)(C)C(NC1=NC=C(Br)C=C1)=O
Tpsa:
41.99
Logp:
3.2188
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3