CS-1002056
Gadobutrol Impurity 161
Manufacturer: ChemScene
CAS Number: 176753-26-7
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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
C₁₂H₂₈N₄O₃
Molecular Weight
276.38
Synonyms
None
SMILES
OCC(O)C(N1CCNCCNCCNCC1)CO
Tpsa
100.02
Logp
-3.2151
H Acceptors
7
H Donors
6
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 176753-26-7 | 3-(1,4,7,10-Tetraazacyclododec-1-yl)-1,2,4-butanetriol | 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: C₁₂H₂₈N₄O₃
Molecular Weight: 276.38
Synonyms: None
SMILES: OCC(O)C(N1CCNCCNCCNCC1)CO
Tpsa: 100.02
Logp: -3.2151
H Acceptors: 7
H Donors: 6
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:
C₁₂H₂₈N₄O₃
Molecular Weight:
276.38
Synonyms:
None
SMILES:
OCC(O)C(N1CCNCCNCCNCC1)CO
Tpsa:
100.02
Logp:
-3.2151
H Acceptors:
7
H Donors:
6
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: C₆H₁₂O₄
Molecular Weight: 148.16
Synonyms: None
SMILES: O(C)[C@H]1C[C@H](O)[C@H](O)CO1
Tpsa: 58.92
Logp: -0.899
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₄
Molecular Weight:
148.16
Synonyms:
None
SMILES:
O(C)[C@H]1C[C@H](O)[C@H](O)CO1
Tpsa:
58.92
Logp:
-0.899
H Acceptors:
4
H Donors:
2
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: C₁₅H₂₃N₃O₂
Molecular Weight: 277.36
Synonyms: None
SMILES: O=C(NCC1N(CC)CCC1)C2=CC=C(N)C=C2OC
Tpsa: 67.59
Logp: 1.4915
H Acceptors: 4
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:
C₁₅H₂₃N₃O₂
Molecular Weight:
277.36
Synonyms:
None
SMILES:
O=C(NCC1N(CC)CCC1)C2=CC=C(N)C=C2OC
Tpsa:
67.59
Logp:
1.4915
H Acceptors:
4
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: C₁₆H₂₃NO
Molecular Weight: 245.36
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)CC)CCN2CCCCC2
Tpsa: 20.31
Logp: 3.3077
H Acceptors: 2
H Donors: 0
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:
C₁₆H₂₃NO
Molecular Weight:
245.36
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)CC)CCN2CCCCC2
Tpsa:
20.31
Logp:
3.3077
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
5