CS-0876817
Sodium (2,4-dinitrophenyl)(sulfonato)-d-alaninate hydrate
Manufacturer: ChemScene
CAS Number: 16068-14-7
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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
C₉H₉N₃Na₂O₁₀S
Molecular Weight
397.23
Synonyms
None
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CS(=O)(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
Tpsa
227.14
Logp
-8.2381
H Acceptors
10
H Donors
1
Rotatable Bonds
7
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SAFETY INFORMATION
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: C₉H₉N₃Na₂O₁₀S
Molecular Weight: 397.23
Synonyms: None
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CS(=O)(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
Tpsa: 227.14
Logp: -8.2381
H Acceptors: 10
H Donors: 1
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:
C₉H₉N₃Na₂O₁₀S
Molecular Weight:
397.23
Synonyms:
None
SMILES:
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CS(=O)(=O)[O-])C(=O)[O-].O.[Na+].[Na+]
Tpsa:
227.14
Logp:
-8.2381
H Acceptors:
10
H Donors:
1
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: C₁₈H₁₄O₃
Molecular Weight: 278.30
Synonyms: None
SMILES: CCOC(=O)C(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
Tpsa: 43.37
Logp: 3.7388
H Acceptors: 3
H Donors: 0
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:
C₁₈H₁₄O₃
Molecular Weight:
278.30
Synonyms:
None
SMILES:
CCOC(=O)C(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
Tpsa:
43.37
Logp:
3.7388
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NO
Molecular Weight: 189.25
Synonyms: None
SMILES: CC(=O)N1CC(C)(C)C2=CC=CC=C21
Tpsa: 20.31
Logp: 2.3307
H Acceptors: 1
H Donors: 0
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:
C₁₂H₁₅NO
Molecular Weight:
189.25
Synonyms:
None
SMILES:
CC(=O)N1CC(C)(C)C2=CC=CC=C21
Tpsa:
20.31
Logp:
2.3307
H Acceptors:
1
H Donors:
0
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: C₁₂H₁₇Cl₂N
Molecular Weight: 246.18
Synonyms: None
SMILES: C1C[C@@H](C[C@@H](C1)N)C2=CC=C(C=C2)Cl.Cl
Tpsa: 26.02
Logp: 3.7467
H Acceptors: 1
H Donors: 1
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:
C₁₂H₁₇Cl₂N
Molecular Weight:
246.18
Synonyms:
None
SMILES:
C1C[C@@H](C[C@@H](C1)N)C2=CC=C(C=C2)Cl.Cl
Tpsa:
26.02
Logp:
3.7467
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1