CS-1002093
Pregabalin Impurity 181
Manufacturer: ChemScene
CAS Number: 1793109-12-2
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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
C₂₆H₂₉N₃O₂S
Molecular Weight
447.59
Synonyms
None
SMILES
[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa
62.3
Logp
4.45922
H Acceptors
4
H Donors
1
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1793109-12-2 | 3-(aminomethyl)-5-methylhex-4-enoic acid | A2B Chem | -- |
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₉N₃O₂S
Molecular Weight: 447.59
Synonyms: None
SMILES: [C@@H](NS(=O)(=O)C1=CC=C(C)C=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa: 62.3
Logp: 4.45922
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₉N₃O₂S
Molecular Weight:
447.59
Synonyms:
None
SMILES:
[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1)([C@]2([N@@]3C[C@H](C=C)[C@](C2)(CC3)[H])[H])C=4C5=C(N=CC4)C=CC=C5
Tpsa:
62.3
Logp:
4.45922
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆O₃
Molecular Weight: 126.11
Synonyms: None
SMILES: O=C1C(O)=CC=CC1O
Tpsa: 57.53
Logp: -0.0719
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆O₃
Molecular Weight:
126.11
Synonyms:
None
SMILES:
O=C1C(O)=CC=CC1O
Tpsa:
57.53
Logp:
-0.0719
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂ClNOS
Molecular Weight: 217.72
Synonyms: None
SMILES: O=C(NCCCC)C=1SC(Cl)=CC1
Tpsa: 29.1
Logp: 2.9314
H Acceptors: 2
H Donors: 1
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:
C₉H₁₂ClNOS
Molecular Weight:
217.72
Synonyms:
None
SMILES:
O=C(NCCCC)C=1SC(Cl)=CC1
Tpsa:
29.1
Logp:
2.9314
H Acceptors:
2
H Donors:
1
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: C₂₆H₂₇Cl₂NO
Molecular Weight: 440.40
Synonyms: None
SMILES: ClC1=CC(=CC=C1OCCN(CC)CC)C(C=2C=CC=CC2)=C(Cl)C=3C=CC=CC3
Tpsa: 12.47
Logp: 7.216
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₇Cl₂NO
Molecular Weight:
440.40
Synonyms:
None
SMILES:
ClC1=CC(=CC=C1OCCN(CC)CC)C(C=2C=CC=CC2)=C(Cl)C=3C=CC=CC3
Tpsa:
12.47
Logp:
7.216
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
9