CS-0540454
2-(4-Methylisoxazol-5-yl)acetonitrile
Manufacturer: ChemScene
CAS Number: 1607024-84-9
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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
C₆H₆N₂O
Molecular Weight
122.12
Synonyms
None
SMILES
N#CCC1=C(C)C=NO1
Tpsa
49.82
Logp
1.0491
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₆H₆N₂O
Molecular Weight: 122.12
Synonyms: None
SMILES: N#CCC1=C(C)C=NO1
Tpsa: 49.82
Logp: 1.0491
H Acceptors: 3
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:
C₆H₆N₂O
Molecular Weight:
122.12
Synonyms:
None
SMILES:
N#CCC1=C(C)C=NO1
Tpsa:
49.82
Logp:
1.0491
H Acceptors:
3
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: C₁₂H₁₁NO₂S
Molecular Weight: 233.29
Synonyms: Intermediate
SMILES: O=S(=O)(C=1C=CC=C(C1)C2=CN=CC=C2)C
Tpsa: 47.03
Logp: 2.1521
H Acceptors: 3
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:
C₁₂H₁₁NO₂S
Molecular Weight:
233.29
Synonyms:
Intermediate
SMILES:
O=S(=O)(C=1C=CC=C(C1)C2=CN=CC=C2)C
Tpsa:
47.03
Logp:
2.1521
H Acceptors:
3
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: C₁₄H₂₈N₂O₃
Molecular Weight: 272.38
Synonyms: None
SMILES: O=C(N1CCC(OC)(CN(C)C)CC1)OC(C)(C)C
Tpsa: 42.01
Logp: 1.9641
H Acceptors: 4
H Donors: 0
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:
C₁₄H₂₈N₂O₃
Molecular Weight:
272.38
Synonyms:
None
SMILES:
O=C(N1CCC(OC)(CN(C)C)CC1)OC(C)(C)C
Tpsa:
42.01
Logp:
1.9641
H Acceptors:
4
H Donors:
0
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: C₉H₂₀N₂O
Molecular Weight: 172.27
Synonyms: None
SMILES: CN(C)CC1(CCNCC1)OC
Tpsa: 24.5
Logp: 0.3166
H Acceptors: 3
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:
C₉H₂₀N₂O
Molecular Weight:
172.27
Synonyms:
None
SMILES:
CN(C)CC1(CCNCC1)OC
Tpsa:
24.5
Logp:
0.3166
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3