CS-1000220
Pregabalin Impurity 59
Manufacturer: ChemScene
CAS Number: 103011-96-7
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₅NO₂
Molecular Weight
181.23
Synonyms
None
SMILES
C(\C(OCC)=O)(=C/CC(C)C)/C#N
Tpsa
50.09
Logp
2.04558
H Acceptors
3
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 103011-96-7 | (E)-Ethyl2-cyano-5-methylhex-2-enoate | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅NO₂
Molecular Weight: 181.23
Synonyms: None
SMILES: C(\C(OCC)=O)(=C/CC(C)C)/C#N
Tpsa: 50.09
Logp: 2.04558
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅NO₂
Molecular Weight:
181.23
Synonyms:
None
SMILES:
C(\C(OCC)=O)(=C/CC(C)C)/C#N
Tpsa:
50.09
Logp:
2.04558
H Acceptors:
3
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: C₁₈H₂₀FNO₂
Molecular Weight: 301.36
Synonyms: None
SMILES: [C@H](CNCC1=CC=CC=C1)(O)[C@]2(OC=3C(CC2)=CC(F)=CC3)[H]
Tpsa: 41.49
Logp: 2.67
H Acceptors: 3
H Donors: 2
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:
C₁₈H₂₀FNO₂
Molecular Weight:
301.36
Synonyms:
None
SMILES:
[C@H](CNCC1=CC=CC=C1)(O)[C@]2(OC=3C(CC2)=CC(F)=CC3)[H]
Tpsa:
41.49
Logp:
2.67
H Acceptors:
3
H Donors:
2
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: C₆H₅ClO₅S₂
Molecular Weight: 256.68
Synonyms: None
SMILES: O=C(OC)C=1SC(Cl)=CC1S(=O)(=O)O
Tpsa: 80.67
Logp: 1.4348
H Acceptors: 5
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:
C₆H₅ClO₅S₂
Molecular Weight:
256.68
Synonyms:
None
SMILES:
O=C(OC)C=1SC(Cl)=CC1S(=O)(=O)O
Tpsa:
80.67
Logp:
1.4348
H Acceptors:
5
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: C₁₁H₁₄ClNO₂
Molecular Weight: 227.69
Synonyms: None
SMILES: O=C(NCC(O)C)CC1=CC=C(Cl)C=C1
Tpsa: 49.33
Logp: 1.3795
H Acceptors: 2
H Donors: 2
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:
C₁₁H₁₄ClNO₂
Molecular Weight:
227.69
Synonyms:
None
SMILES:
O=C(NCC(O)C)CC1=CC=C(Cl)C=C1
Tpsa:
49.33
Logp:
1.3795
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4