CS-1003571
Isoniazid Impurity E
Manufacturer: ChemScene
CAS Number: 31599-25-4
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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
C₁₂H₁₀N₆
Molecular Weight
238.25
Synonyms
None
SMILES
N=1N=C(NNC1C=2C=CN=CC2)C=3C=CN=CC3
Tpsa
74.56
Logp
0.6928
H Acceptors
6
H Donors
2
Rotatable Bonds
2
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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: C₁₂H₁₀N₆
Molecular Weight: 238.25
Synonyms: None
SMILES: N=1N=C(NNC1C=2C=CN=CC2)C=3C=CN=CC3
Tpsa: 74.56
Logp: 0.6928
H Acceptors: 6
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:
C₁₂H₁₀N₆
Molecular Weight:
238.25
Synonyms:
None
SMILES:
N=1N=C(NNC1C=2C=CN=CC2)C=3C=CN=CC3
Tpsa:
74.56
Logp:
0.6928
H Acceptors:
6
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: C₁₉H₃₄N₂O₆
Molecular Weight: 386.48
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(OC(C)(C)C)=O)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa: 124.96
Logp: 1.9022
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₄N₂O₆
Molecular Weight:
386.48
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(OC(C)(C)C)=O)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa:
124.96
Logp:
1.9022
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃NO₂S
Molecular Weight: 199.27
Synonyms: None
SMILES: [C@@H](NS(C)(=O)=O)(C)C1=CC=CC=C1
Tpsa: 46.17
Logp: 1.2968
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NO₂S
Molecular Weight:
199.27
Synonyms:
None
SMILES:
[C@@H](NS(C)(=O)=O)(C)C1=CC=CC=C1
Tpsa:
46.17
Logp:
1.2968
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₂O₇
Molecular Weight: 386.40
Synonyms: None
SMILES: O=C(O)C(OC1=CC=C(C=C1)C(=O)C2=CC=C(OC(C(=O)O)(C)C)C=C2)(C)C
Tpsa: 110.13
Logp: 3.4016
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₂O₇
Molecular Weight:
386.40
Synonyms:
None
SMILES:
O=C(O)C(OC1=CC=C(C=C1)C(=O)C2=CC=C(OC(C(=O)O)(C)C)C=C2)(C)C
Tpsa:
110.13
Logp:
3.4016
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
8