CS-1003564
Pregabalin Impurity 84
Manufacturer: ChemScene
CAS Number: 313651-25-1
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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
C₉H₁₉NO₂
Molecular Weight
173.25
Synonyms
None
SMILES
[C@H]([C@@H](C(C)C)C)(CC(O)=O)CN
Tpsa
63.32
Logp
1.3281
H Acceptors
2
H Donors
2
Rotatable Bonds
5
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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: C₉H₁₉NO₂
Molecular Weight: 173.25
Synonyms: None
SMILES: [C@H]([C@@H](C(C)C)C)(CC(O)=O)CN
Tpsa: 63.32
Logp: 1.3281
H Acceptors: 2
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:
C₉H₁₉NO₂
Molecular Weight:
173.25
Synonyms:
None
SMILES:
[C@H]([C@@H](C(C)C)C)(CC(O)=O)CN
Tpsa:
63.32
Logp:
1.3281
H Acceptors:
2
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: C₁₂H₁₆O₃
Molecular Weight: 208.25
Synonyms: None
SMILES: O=CC1=CC=C(OCCOC(C)C)C=C1
Tpsa: 35.53
Logp: 2.3029
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₆O₃
Molecular Weight:
208.25
Synonyms:
None
SMILES:
O=CC1=CC=C(OCCOC(C)C)C=C1
Tpsa:
35.53
Logp:
2.3029
H Acceptors:
3
H Donors:
0
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: C₈H₇NO₃
Molecular Weight: 165.15
Synonyms: None
SMILES: O=C1C=C2C(=NCC2O)C=C1O
Tpsa: 69.89
Logp: -0.2471
H Acceptors: 4
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:
C₈H₇NO₃
Molecular Weight:
165.15
Synonyms:
None
SMILES:
O=C1C=C2C(=NCC2O)C=C1O
Tpsa:
69.89
Logp:
-0.2471
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈N₄O
Molecular Weight: 140.14
Synonyms: None
SMILES: O=C1C=C(N=C(N)N1C)N
Tpsa: 86.93
Logp: -1.0553
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈N₄O
Molecular Weight:
140.14
Synonyms:
None
SMILES:
O=C1C=C(N=C(N)N1C)N
Tpsa:
86.93
Logp:
-1.0553
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
0