AB66038
400899-84-5 | 4-(N-Boc-n-methylamino)cyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB66038
ChemicalName
4-(N-Boc-n-methylamino)cyclohexanone
CasNumber
400899-84-5
MolecularFormula
C12H21NO3
MolecularWeight
227.3
MdlNumber
MFCD09037870
Smiles
CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AB66038
ChemicalName: 4-(N-Boc-n-methylamino)cyclohexanone
CasNumber: 400899-84-5
MolecularFormula: C12H21NO3
MolecularWeight: 227.3
MdlNumber: MFCD09037870
Smiles: CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB66038
ChemicalName:
4-(N-Boc-n-methylamino)cyclohexanone
CasNumber:
400899-84-5
MolecularFormula:
C12H21NO3
MolecularWeight:
227.3
MdlNumber:
MFCD09037870
Smiles:
CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AB66039
ChemicalName: (4-n-Butoxyphenyl)acetic acid
CasNumber: 4547-57-3
MolecularFormula: C12H16O3
MolecularWeight: 208.2536
MdlNumber: MFCD00016832
Smiles: CCCCOc1ccc(cc1)CC(=O)O
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 2.8
CatalogNumber:
AB66039
ChemicalName:
(4-n-Butoxyphenyl)acetic acid
CasNumber:
4547-57-3
MolecularFormula:
C12H16O3
MolecularWeight:
208.2536
MdlNumber:
MFCD00016832
Smiles:
CCCCOc1ccc(cc1)CC(=O)O
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
2.8
CatalogNumber: AB66040
ChemicalName: 4-(N-Butylamino)-1-butanol
CasNumber: 4543-95-7
MolecularFormula: C8H19NO
MolecularWeight: 145.2426
MdlNumber: MFCD00059007
Smiles: CCCCNCCCCO
Complexity: 57.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 7
Xlogp3: 1.6
CatalogNumber:
AB66040
ChemicalName:
4-(N-Butylamino)-1-butanol
CasNumber:
4543-95-7
MolecularFormula:
C8H19NO
MolecularWeight:
145.2426
MdlNumber:
MFCD00059007
Smiles:
CCCCNCCCCO
Complexity:
57.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
7
Xlogp3:
1.6
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Smiles: OS(=O)(=O)O.OCCN(c1ccc(c(c1)C)N)CC
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Smiles:
OS(=O)(=O)O.OCCN(c1ccc(c(c1)C)N)CC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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