CS-0646955
2-Acetyl-4,4-dimethoxybutanenitrile
Manufacturer: ChemScene
CAS Number: 1949014-72-5
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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
C₈H₁₃NO₃
Molecular Weight
171.19
Synonyms
None
SMILES
N#CC(C(C)=O)CC(OC)OC
Tpsa
59.32
Logp
0.72418
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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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: C₈H₁₃NO₃
Molecular Weight: 171.19
Synonyms: None
SMILES: N#CC(C(C)=O)CC(OC)OC
Tpsa: 59.32
Logp: 0.72418
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃NO₃
Molecular Weight:
171.19
Synonyms:
None
SMILES:
N#CC(C(C)=O)CC(OC)OC
Tpsa:
59.32
Logp:
0.72418
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₅ClN₂OS
Molecular Weight: 164.61
Synonyms: None
SMILES: COCC1=NN=C(Cl)S1
Tpsa: 35.01
Logp: 1.3379
H Acceptors: 4
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:
C₄H₅ClN₂OS
Molecular Weight:
164.61
Synonyms:
None
SMILES:
COCC1=NN=C(Cl)S1
Tpsa:
35.01
Logp:
1.3379
H Acceptors:
4
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: C₈H₆BrF₃O₂S
Molecular Weight: 303.10
Synonyms: None
SMILES: O=S(C1=CC=C(Br)C(C)=C1)(C(F)(F)F)=O
Tpsa: 34.14
Logp: 3.05102
H Acceptors: 2
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:
C₈H₆BrF₃O₂S
Molecular Weight:
303.10
Synonyms:
None
SMILES:
O=S(C1=CC=C(Br)C(C)=C1)(C(F)(F)F)=O
Tpsa:
34.14
Logp:
3.05102
H Acceptors:
2
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: C₇H₈ClN₃O
Molecular Weight: 185.61
Synonyms: None
SMILES: NC1=NC=NC(Cl)=C1/C=C/OC
Tpsa: 61.03
Logp: 1.3293
H Acceptors: 4
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:
C₇H₈ClN₃O
Molecular Weight:
185.61
Synonyms:
None
SMILES:
NC1=NC=NC(Cl)=C1/C=C/OC
Tpsa:
61.03
Logp:
1.3293
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2