CS-0566898
1-(tert-Butyl) 4-methyl 5-bromo-3,6-dihydropyridine-1,4(2H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2564806-81-9
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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
C₁₂H₁₈BrNO₄
Molecular Weight
320.18
Synonyms
1,4(2H)-Pyridinedicarboxylic acid, 3-bromo-5,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
SMILES
O=C(N1CCC(C(OC)=O)=C(Br)C1)OC(C)(C)C
Tpsa
55.84
Logp
2.4492
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₁₂H₁₈BrNO₄
Molecular Weight: 320.18
Synonyms: 1,4(2H)-Pyridinedicarboxylic acid, 3-bromo-5,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
SMILES: O=C(N1CCC(C(OC)=O)=C(Br)C1)OC(C)(C)C
Tpsa: 55.84
Logp: 2.4492
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₈BrNO₄
Molecular Weight:
320.18
Synonyms:
1,4(2H)-Pyridinedicarboxylic acid, 3-bromo-5,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
SMILES:
O=C(N1CCC(C(OC)=O)=C(Br)C1)OC(C)(C)C
Tpsa:
55.84
Logp:
2.4492
H Acceptors:
4
H Donors:
0
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: C₇H₈ClNO
Molecular Weight: 157.60
Synonyms: 5-Amino-3-chloro-2-hydroxytoluene
SMILES: ClC1=C(O)C(C)=CC(N)=C1
Tpsa: 46.25
Logp: 1.93622
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:
C₇H₈ClNO
Molecular Weight:
157.60
Synonyms:
5-Amino-3-chloro-2-hydroxytoluene
SMILES:
ClC1=C(O)C(C)=CC(N)=C1
Tpsa:
46.25
Logp:
1.93622
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: C₁₂H₁₈BrNO₄
Molecular Weight: 320.18
Synonyms: None
SMILES: O=C(N1C=C(Br)C(C(OC)=O)CC1)OC(C)(C)C
Tpsa: 55.84
Logp: 2.6527
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₈BrNO₄
Molecular Weight:
320.18
Synonyms:
None
SMILES:
O=C(N1C=C(Br)C(C(OC)=O)CC1)OC(C)(C)C
Tpsa:
55.84
Logp:
2.6527
H Acceptors:
4
H Donors:
0
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: C₆H₉BN₂O₄
Molecular Weight: 183.96
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: O=C(C1=CC(B(O)O)=NN1C)OC
Tpsa: 84.58
Logp: -2.1135
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:
C₆H₉BN₂O₄
Molecular Weight:
183.96
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
O=C(C1=CC(B(O)O)=NN1C)OC
Tpsa:
84.58
Logp:
-2.1135
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
2