CS-0305516
3-(((3,5-Dimethylisoxazol-4-yl)methyl)amino)benzonitrile
Manufacturer: ChemScene
CAS Number: 1042774-01-5
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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
C₁₃H₁₃N₃O
Molecular Weight
227.26
Synonyms
None
SMILES
N#CC1=CC=CC(NCC2=C(C)ON=C2C)=C1
Tpsa
61.85
Logp
2.77522
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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: C₁₃H₁₃N₃O
Molecular Weight: 227.26
Synonyms: None
SMILES: N#CC1=CC=CC(NCC2=C(C)ON=C2C)=C1
Tpsa: 61.85
Logp: 2.77522
H Acceptors: 4
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:
C₁₃H₁₃N₃O
Molecular Weight:
227.26
Synonyms:
None
SMILES:
N#CC1=CC=CC(NCC2=C(C)ON=C2C)=C1
Tpsa:
61.85
Logp:
2.77522
H Acceptors:
4
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: C₁₁H₉N₃S
Molecular Weight: 215.27
Synonyms: None
SMILES: N#CC1=CC=CC(NCC2=CN=CS2)=C1
Tpsa: 48.71
Logp: 2.62688
H Acceptors: 4
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:
C₁₁H₉N₃S
Molecular Weight:
215.27
Synonyms:
None
SMILES:
N#CC1=CC=CC(NCC2=CN=CS2)=C1
Tpsa:
48.71
Logp:
2.62688
H Acceptors:
4
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: C₁₂H₁₀N₂S
Molecular Weight: 214.29
Synonyms: 3-[(3-thienylmethyl)amino]benzonitrile
SMILES: N#CC1=CC=CC(NCC2=CSC=C2)=C1
Tpsa: 35.82
Logp: 3.23188
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:
C₁₂H₁₀N₂S
Molecular Weight:
214.29
Synonyms:
3-[(3-thienylmethyl)amino]benzonitrile
SMILES:
N#CC1=CC=CC(NCC2=CSC=C2)=C1
Tpsa:
35.82
Logp:
3.23188
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: C₁₁H₁₂N₂
Molecular Weight: 172.23
Synonyms: None
SMILES: N#CC1=CC=CC(NCC2CC2)=C1
Tpsa: 35.82
Logp: 2.38018
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:
C₁₁H₁₂N₂
Molecular Weight:
172.23
Synonyms:
None
SMILES:
N#CC1=CC=CC(NCC2CC2)=C1
Tpsa:
35.82
Logp:
2.38018
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3