AD62417
194032-32-1 | (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD62417
ChemicalName
(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
CasNumber
194032-32-1
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD09840678
Smiles
C[C@@H]1NCCCN(C1)C(=O)OC(C)(C)C
Complexity
223
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AD62417
ChemicalName: (S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
CasNumber: 194032-32-1
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD09840678
Smiles: C[C@@H]1NCCCN(C1)C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AD62417
ChemicalName:
(S)-tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
CasNumber:
194032-32-1
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD09840678
Smiles:
C[C@@H]1NCCCN(C1)C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1c(C)cnc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1c(C)cnc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cncc2c1c(ccc2)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cncc2c1c(ccc2)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD62421
ChemicalName: 4-Bromo-3,5-dichlorophenol
CasNumber: 1940-28-9
MolecularFormula: C6H3BrCl2O
MolecularWeight: 241.8974
MdlNumber: MFCD01830114
Smiles: Oc1cc(Cl)c(c(c1)Cl)Br
Complexity: 110
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
AD62421
ChemicalName:
4-Bromo-3,5-dichlorophenol
CasNumber:
1940-28-9
MolecularFormula:
C6H3BrCl2O
MolecularWeight:
241.8974
MdlNumber:
MFCD01830114
Smiles:
Oc1cc(Cl)c(c(c1)Cl)Br
Complexity:
110
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4.1