AI64313
954228-35-4 | Methyl 6-(ethylamino)-5-nitronicotinate
Manufacturer: A2B Chem
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CatalogNumber
AI64313
ChemicalName
Methyl 6-(ethylamino)-5-nitronicotinate
CasNumber
954228-35-4
MolecularFormula
C9H11N3O4
MolecularWeight
225.2013
MdlNumber
MFCD09862690
Smiles
CCNc1ncc(cc1[N+](=O)[O-])C(=O)OC
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AI64313
ChemicalName: Methyl 6-(ethylamino)-5-nitronicotinate
CasNumber: 954228-35-4
MolecularFormula: C9H11N3O4
MolecularWeight: 225.2013
MdlNumber: MFCD09862690
Smiles: CCNc1ncc(cc1[N+](=O)[O-])C(=O)OC
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI64313
ChemicalName:
Methyl 6-(ethylamino)-5-nitronicotinate
CasNumber:
954228-35-4
MolecularFormula:
C9H11N3O4
MolecularWeight:
225.2013
MdlNumber:
MFCD09862690
Smiles:
CCNc1ncc(cc1[N+](=O)[O-])C(=O)OC
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AI64315
ChemicalName: 3-(Pyridin-4-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
CasNumber: 954228-57-0
MolecularFormula: C15H22N2O3
MolecularWeight: 278.3468
MdlNumber: MFCD09862031
Smiles: O=C(N1CCCC(C1)Oc1ccncc1)OC(C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AI64315
ChemicalName:
3-(Pyridin-4-yloxy)-piperidine-1-carboxylic acid tert-butyl ester
CasNumber:
954228-57-0
MolecularFormula:
C15H22N2O3
MolecularWeight:
278.3468
MdlNumber:
MFCD09862031
Smiles:
O=C(N1CCCC(C1)Oc1ccncc1)OC(C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1nnc(o1)C1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1nnc(o1)C1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI64317
ChemicalName: 3-(N-Boc-Piperidin-4-ylmethoxy)benzotrifluoride
CasNumber: 954229-23-3
MolecularFormula: C18H24F3NO3
MolecularWeight: 359.3833
MdlNumber: MFCD09862048
Smiles: O=C(N1CCC(CC1)COc1cccc(c1)C(F)(F)F)OC(C)(C)C
Complexity: 440
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 4.4
CatalogNumber:
AI64317
ChemicalName:
3-(N-Boc-Piperidin-4-ylmethoxy)benzotrifluoride
CasNumber:
954229-23-3
MolecularFormula:
C18H24F3NO3
MolecularWeight:
359.3833
MdlNumber:
MFCD09862048
Smiles:
O=C(N1CCC(CC1)COc1cccc(c1)C(F)(F)F)OC(C)(C)C
Complexity:
440
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
4.4