CS-1001007
Indobufen Impurity 61
Manufacturer: ChemScene
CAS Number: 131484-83-8
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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
C₁₈H₁₇NO₃
Molecular Weight
295.33
Synonyms
None
SMILES
O=C1N(CC=2C1=CC=CC2)C3=CC=C([C@H](C(O)=O)CC)C=C3
Tpsa
57.61
Logp
3.4252
H Acceptors
2
H Donors
1
Rotatable Bonds
4
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: C₁₈H₁₇NO₃
Molecular Weight: 295.33
Synonyms: None
SMILES: O=C1N(CC=2C1=CC=CC2)C3=CC=C([C@H](C(O)=O)CC)C=C3
Tpsa: 57.61
Logp: 3.4252
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:
C₁₈H₁₇NO₃
Molecular Weight:
295.33
Synonyms:
None
SMILES:
O=C1N(CC=2C1=CC=CC2)C3=CC=C([C@H](C(O)=O)CC)C=C3
Tpsa:
57.61
Logp:
3.4252
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₆N₂
Molecular Weight: 140.23
Synonyms: None
SMILES: NC1CC2NC(CCC2)C1
Tpsa: 38.05
Logp: 0.6182
H Acceptors: 2
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:
C₈H₁₆N₂
Molecular Weight:
140.23
Synonyms:
None
SMILES:
NC1CC2NC(CCC2)C1
Tpsa:
38.05
Logp:
0.6182
H Acceptors:
2
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: C₄H₉NO₂
Molecular Weight: 103.12
Synonyms: None
SMILES: [C@@H](C(N)=O)(CC)O
Tpsa: 63.32
Logp: -0.7574
H Acceptors: 2
H Donors: 2
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:
C₄H₉NO₂
Molecular Weight:
103.12
Synonyms:
None
SMILES:
[C@@H](C(N)=O)(CC)O
Tpsa:
63.32
Logp:
-0.7574
H Acceptors:
2
H Donors:
2
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: C₈H₁₁NO₂
Molecular Weight: 153.18
Synonyms: None
SMILES: OCC1=NC=C(OC)C=C1C
Tpsa: 42.35
Logp: 0.89092
H Acceptors: 3
H Donors: 1
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:
C₈H₁₁NO₂
Molecular Weight:
153.18
Synonyms:
None
SMILES:
OCC1=NC=C(OC)C=C1C
Tpsa:
42.35
Logp:
0.89092
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2