CS-1001234
Tapentadol Impurity 3
Manufacturer: ChemScene
CAS Number: 1384457-52-6
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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
C₁₂H₁₆O₃
Molecular Weight
208.25
Synonyms
None
SMILES
[C@H]([C@H](C(O)=O)C)(CC)C1=CC(O)=CC=C1
Tpsa
57.53
Logp
2.6065
H Acceptors
2
H Donors
2
Rotatable Bonds
4
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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: C₁₂H₁₆O₃
Molecular Weight: 208.25
Synonyms: None
SMILES: [C@H]([C@H](C(O)=O)C)(CC)C1=CC(O)=CC=C1
Tpsa: 57.53
Logp: 2.6065
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:
C₁₂H₁₆O₃
Molecular Weight:
208.25
Synonyms:
None
SMILES:
[C@H]([C@H](C(O)=O)C)(CC)C1=CC(O)=CC=C1
Tpsa:
57.53
Logp:
2.6065
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: C₁₈H₁₁ClN₂O
Molecular Weight: 306.75
Synonyms: None
SMILES: O=C1C=CC2=NC=3C=CC=CC3N(C4=CC=C(Cl)C=C4)C2=C1
Tpsa: 34.89
Logp: 4.1439
H Acceptors: 3
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:
C₁₈H₁₁ClN₂O
Molecular Weight:
306.75
Synonyms:
None
SMILES:
O=C1C=CC2=NC=3C=CC=CC3N(C4=CC=C(Cl)C=C4)C2=C1
Tpsa:
34.89
Logp:
4.1439
H Acceptors:
3
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: C₂₅H₂₈F₃N₃O₅
Molecular Weight: 507.50
Synonyms: None
SMILES: C(CC(O)=O)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(N)=O)C=C1
Tpsa: 115.81
Logp: 3.7556
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈F₃N₃O₅
Molecular Weight:
507.50
Synonyms:
None
SMILES:
C(CC(O)=O)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(N)=O)C=C1
Tpsa:
115.81
Logp:
3.7556
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₇
Molecular Weight: 299.28
Synonyms: None
SMILES: O=CC1=CC(OCCOC)=C(OCCOC)C=C1N(=O)=O
Tpsa: 97.13
Logp: 1.4577
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₇
Molecular Weight:
299.28
Synonyms:
None
SMILES:
O=CC1=CC(OCCOC)=C(OCCOC)C=C1N(=O)=O
Tpsa:
97.13
Logp:
1.4577
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
10