AA18254
1174020-26-8 | (R)-tert-Butyl 4-aminoazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA18254
ChemicalName
(R)-tert-Butyl 4-aminoazepane-1-carboxylate
CasNumber
1174020-26-8
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD16294633
Smiles
N[C@@H]1CCCN(CC1)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: AA18254
ChemicalName: (R)-tert-Butyl 4-aminoazepane-1-carboxylate
CasNumber: 1174020-26-8
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD16294633
Smiles: N[C@@H]1CCCN(CC1)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:
AA18254
ChemicalName:
(R)-tert-Butyl 4-aminoazepane-1-carboxylate
CasNumber:
1174020-26-8
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD16294633
Smiles:
N[C@@H]1CCCN(CC1)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: __
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Smiles: OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__