AA31305
1256633-34-7 | Methyl 4-[n-boc-n-(2-ethoxy-2-oxoethyl)amino]butanoate
Manufacturer: A2B Chem
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CatalogNumber
AA31305
ChemicalName
Methyl 4-[n-boc-n-(2-ethoxy-2-oxoethyl)amino]butanoate
CasNumber
1256633-34-7
MolecularFormula
C14H25NO6
MolecularWeight
303.3514
MdlNumber
MFCD18071033
Smiles
CCOC(=O)CN(C(=O)OC(C)(C)C)CCCC(=O)OC
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
11
Xlogp3
1.6
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CatalogNumber: AA31305
ChemicalName: Methyl 4-[n-boc-n-(2-ethoxy-2-oxoethyl)amino]butanoate
CasNumber: 1256633-34-7
MolecularFormula: C14H25NO6
MolecularWeight: 303.3514
MdlNumber: MFCD18071033
Smiles: CCOC(=O)CN(C(=O)OC(C)(C)C)CCCC(=O)OC
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 11
Xlogp3: 1.6
CatalogNumber:
AA31305
ChemicalName:
Methyl 4-[n-boc-n-(2-ethoxy-2-oxoethyl)amino]butanoate
CasNumber:
1256633-34-7
MolecularFormula:
C14H25NO6
MolecularWeight:
303.3514
MdlNumber:
MFCD18071033
Smiles:
CCOC(=O)CN(C(=O)OC(C)(C)C)CCCC(=O)OC
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
11
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(n2cncc2)c(cc1[N+](=O)[O-])n1cncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(n2cncc2)c(cc1[N+](=O)[O-])n1cncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1oncc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1oncc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA31308
ChemicalName: 2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile
CasNumber: 1256633-31-4
MolecularFormula: C9H9N3O2
MolecularWeight: 191.1867
MdlNumber: MFCD18070992
Smiles: N#CC(c1ccc(cn1)[N+](=O)[O-])(C)C
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AA31308
ChemicalName:
2-Methyl-2-(5-nitropyridin-2-yl)propanenitrile
CasNumber:
1256633-31-4
MolecularFormula:
C9H9N3O2
MolecularWeight:
191.1867
MdlNumber:
MFCD18070992
Smiles:
N#CC(c1ccc(cn1)[N+](=O)[O-])(C)C
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.2