AA42403
1272758-40-3 | N-Boc-6-hydroxy-1,4-oxazepane
Manufacturer: A2B Chem
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CatalogNumber
AA42403
ChemicalName
N-Boc-6-hydroxy-1,4-oxazepane
CasNumber
1272758-40-3
MolecularFormula
C10H19NO4
MolecularWeight
217.2622
MdlNumber
MFCD18711407
Smiles
OC1COCCN(C1)C(=O)OC(C)(C)C
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AA42403
ChemicalName: N-Boc-6-hydroxy-1,4-oxazepane
CasNumber: 1272758-40-3
MolecularFormula: C10H19NO4
MolecularWeight: 217.2622
MdlNumber: MFCD18711407
Smiles: OC1COCCN(C1)C(=O)OC(C)(C)C
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AA42403
ChemicalName:
N-Boc-6-hydroxy-1,4-oxazepane
CasNumber:
1272758-40-3
MolecularFormula:
C10H19NO4
MolecularWeight:
217.2622
MdlNumber:
MFCD18711407
Smiles:
OC1COCCN(C1)C(=O)OC(C)(C)C
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
CatalogNumber: AA42404
ChemicalName: 3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber: 1272758-31-2
MolecularFormula: C13H17N3O
MolecularWeight: 231.2935800000001
MdlNumber: MFCD18711604
Smiles: O=C1N(CNC21CCNCC2)c1ccccc1
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AA42404
ChemicalName:
3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber:
1272758-31-2
MolecularFormula:
C13H17N3O
MolecularWeight:
231.2935800000001
MdlNumber:
MFCD18711604
Smiles:
O=C1N(CNC21CCNCC2)c1ccccc1
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1(N)Cc2c(C1)ccc(c2)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1(N)Cc2c(C1)ccc(c2)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCC2(CC1)CCc1c(C2)cccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCC2(CC1)CCc1c(C2)cccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__