AB50140
336191-17-4 | 2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB50140
ChemicalName
2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
CasNumber
336191-17-4
MolecularFormula
C13H24N2O2
MolecularWeight
240.3419
MdlNumber
MFCD06739056
Smiles
O=C(N1CCC2(C1)CCNCC2)OC(C)(C)C
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB50140
ChemicalName: 2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
CasNumber: 336191-17-4
MolecularFormula: C13H24N2O2
MolecularWeight: 240.3419
MdlNumber: MFCD06739056
Smiles: O=C(N1CCC2(C1)CCNCC2)OC(C)(C)C
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB50140
ChemicalName:
2,8-Diaza-spiro[4.5]decane-2-carboxylic acid tert-butyl ester
CasNumber:
336191-17-4
MolecularFormula:
C13H24N2O2
MolecularWeight:
240.3419
MdlNumber:
MFCD06739056
Smiles:
O=C(N1CCC2(C1)CCNCC2)OC(C)(C)C
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB50141
ChemicalName: 2-Bromo-1H-imidazole
CasNumber: 16681-56-4
MolecularFormula: C3H3BrN2
MolecularWeight: 146.9733
MdlNumber: MFCD02179526
Smiles: Brc1ncc[nH]1
Complexity: 48.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB50141
ChemicalName:
2-Bromo-1H-imidazole
CasNumber:
16681-56-4
MolecularFormula:
C3H3BrN2
MolecularWeight:
146.9733
MdlNumber:
MFCD02179526
Smiles:
Brc1ncc[nH]1
Complexity:
48.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)O
Complexity: 49.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)O
Complexity:
49.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AB50143
ChemicalName: N-Methyltaurine
CasNumber: 107-68-6
MolecularFormula: C3H9NO3S
MolecularWeight: 139.1735
MdlNumber: MFCD00014735
Smiles: CNCCS(=O)(=O)O
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -3.6
CatalogNumber:
AB50143
ChemicalName:
N-Methyltaurine
CasNumber:
107-68-6
MolecularFormula:
C3H9NO3S
MolecularWeight:
139.1735
MdlNumber:
MFCD00014735
Smiles:
CNCCS(=O)(=O)O
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-3.6