CS-0006017
Cyclohexaneacetic acid, 4-[4-(cyanomethyl)phenyl]-, ethyl ester, trans-
Manufacturer: ChemScene
CAS Number: 1031336-85-2
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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
C₁₈H₂₃NO₂
Molecular Weight
285.38
Synonyms
None
SMILES
O=C(OCC)C[C@H]1CC[C@H](C2=CC=C(CC#N)C=C2)CC1
Tpsa
50.09
Logp
3.97968
H Acceptors
3
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1031336-85-2 | Cyclohexaneacetic acid, 4-[4-(cyanomethyl)phenyl]-, ethyl ester, trans- | A2B Chem | -- |
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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: C₁₈H₂₃NO₂
Molecular Weight: 285.38
Synonyms: None
SMILES: O=C(OCC)C[C@H]1CC[C@H](C2=CC=C(CC#N)C=C2)CC1
Tpsa: 50.09
Logp: 3.97968
H Acceptors: 3
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:
C₁₈H₂₃NO₂
Molecular Weight:
285.38
Synonyms:
None
SMILES:
O=C(OCC)C[C@H]1CC[C@H](C2=CC=C(CC#N)C=C2)CC1
Tpsa:
50.09
Logp:
3.97968
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₃NO₅S
Molecular Weight: 199.23
Synonyms: None
SMILES: C/[N+](C)=C\OC.O=S(OC)([O-])=O
Tpsa: 78.67
Logp: -0.9738
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₃NO₅S
Molecular Weight:
199.23
Synonyms:
None
SMILES:
C/[N+](C)=C\OC.O=S(OC)([O-])=O
Tpsa:
78.67
Logp:
-0.9738
H Acceptors:
5
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: C₆H₁₆N₂O₄S
Molecular Weight: 212.27
Synonyms: None
SMILES: C/[N+](C)=C\N(C)C.O=S(OC)([O-])=O
Tpsa: 72.68
Logp: -1.0586
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:
C₆H₁₆N₂O₄S
Molecular Weight:
212.27
Synonyms:
None
SMILES:
C/[N+](C)=C\N(C)C.O=S(OC)([O-])=O
Tpsa:
72.68
Logp:
-1.0586
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: C₁₂H₁₃NO₄
Molecular Weight: 235.24
Synonyms: None
SMILES: CC1=CC=C(/C=C/C(OCC)=O)C([N+]([O-])=O)=C1
Tpsa: 69.44
Logp: 2.47952
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₃NO₄
Molecular Weight:
235.24
Synonyms:
None
SMILES:
CC1=CC=C(/C=C/C(OCC)=O)C([N+]([O-])=O)=C1
Tpsa:
69.44
Logp:
2.47952
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4