CS-0511387
3-Carbamoyl-1-(2,4-dinitrophenyl)pyridin-1-ium chloride
Manufacturer: ChemScene
CAS Number: 53406-00-1
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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
C₁₂H₉ClN₄O₅
Molecular Weight
324.68
Synonyms
3-Carbamyl-1-(2,4-dinitrophenyl)-pyridinium chloride
SMILES
[Cl-].O=C(N)C=1C=CC=[N+](C1)C=2C=CC(=CC2N(=O)=O)N(=O)=O
Tpsa
133.25
Logp
-2.1174
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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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: C₁₂H₉ClN₄O₅
Molecular Weight: 324.68
Synonyms: 3-Carbamyl-1-(2,4-dinitrophenyl)-pyridinium chloride
SMILES: [Cl-].O=C(N)C=1C=CC=[N+](C1)C=2C=CC(=CC2N(=O)=O)N(=O)=O
Tpsa: 133.25
Logp: -2.1174
H Acceptors: 5
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:
C₁₂H₉ClN₄O₅
Molecular Weight:
324.68
Synonyms:
3-Carbamyl-1-(2,4-dinitrophenyl)-pyridinium chloride
SMILES:
[Cl-].O=C(N)C=1C=CC=[N+](C1)C=2C=CC(=CC2N(=O)=O)N(=O)=O
Tpsa:
133.25
Logp:
-2.1174
H Acceptors:
5
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: C₁₂H₂₁NO₂
Molecular Weight: 211.30
Synonyms: 2-Penten-1-ol, 5-(3,3-dimethyl-2-aziridinyl)-, acetate (ester), (E)- (9CI)
SMILES: CC(OC/C=C(C)/CCC1NC1(C)C)=O
Tpsa: 48.24
Logp: 2.0264
H Acceptors: 3
H Donors: 1
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:
C₁₂H₂₁NO₂
Molecular Weight:
211.30
Synonyms:
2-Penten-1-ol, 5-(3,3-dimethyl-2-aziridinyl)-, acetate (ester), (E)- (9CI)
SMILES:
CC(OC/C=C(C)/CCC1NC1(C)C)=O
Tpsa:
48.24
Logp:
2.0264
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₄O₄
Molecular Weight: 210.23
Synonyms: None
SMILES: O=C(OC)C1=CC(OC(C)C)=CC=C1O
Tpsa: 55.76
Logp: 1.966
H Acceptors: 4
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:
C₁₁H₁₄O₄
Molecular Weight:
210.23
Synonyms:
None
SMILES:
O=C(OC)C1=CC(OC(C)C)=CC=C1O
Tpsa:
55.76
Logp:
1.966
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00203126
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀O₄S
Molecular Weight: 226.25
Synonyms: (2E)-3-[4-(Methylsulfonyl)phenyl]propenoic acid
SMILES: O=C(O)/C=C/C1=CC=C(S(=O)(C)=O)C=C1
Tpsa: 71.44
Logp: 1.1879
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00203126
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O₄S
Molecular Weight:
226.25
Synonyms:
(2E)-3-[4-(Methylsulfonyl)phenyl]propenoic acid
SMILES:
O=C(O)/C=C/C1=CC=C(S(=O)(C)=O)C=C1
Tpsa:
71.44
Logp:
1.1879
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3