AB48826
625471-04-7 | (S)-tert-Butyl 3-aminoazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48826
ChemicalName
(S)-tert-Butyl 3-aminoazepane-1-carboxylate
CasNumber
625471-04-7
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD11041390
Smiles
N[C@H]1CCCCN(C1)C(=O)OC(C)(C)C
Complexity
223
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB48826
ChemicalName: (S)-tert-Butyl 3-aminoazepane-1-carboxylate
CasNumber: 625471-04-7
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD11041390
Smiles: N[C@H]1CCCCN(C1)C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB48826
ChemicalName:
(S)-tert-Butyl 3-aminoazepane-1-carboxylate
CasNumber:
625471-04-7
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD11041390
Smiles:
N[C@H]1CCCCN(C1)C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB48827
ChemicalName: 2-(Ethylamino)-phenol
CasNumber: 614-70-0
MolecularFormula: C8H11NO
MolecularWeight: 137.179
MdlNumber: MFCD19216830
Smiles: CCNc1ccccc1O
Complexity: 95.3
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB48827
ChemicalName:
2-(Ethylamino)-phenol
CasNumber:
614-70-0
MolecularFormula:
C8H11NO
MolecularWeight:
137.179
MdlNumber:
MFCD19216830
Smiles:
CCNc1ccccc1O
Complexity:
95.3
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB48828
ChemicalName: 6-Phenylquinoline
CasNumber: 612-95-3
MolecularFormula: C15H11N
MolecularWeight: 205.2545
MdlNumber: MFCD18449075
Smiles: c1ccc(cc1)c1ccc2c(c1)cccn2
Complexity: 220
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.8
CatalogNumber:
AB48828
ChemicalName:
6-Phenylquinoline
CasNumber:
612-95-3
MolecularFormula:
C15H11N
MolecularWeight:
205.2545
MdlNumber:
MFCD18449075
Smiles:
c1ccc(cc1)c1ccc2c(c1)cccn2
Complexity:
220
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(C(=O)O)c(c(c1)C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(C(=O)O)c(c(c1)C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__