AH94247
912444-90-7 | 1-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH94247
ChemicalName
1-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate
CasNumber
912444-90-7
MolecularFormula
C14H25NO4
MolecularWeight
271.3526
MdlNumber
MFCD18088889
Smiles
CCOC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AH94247
ChemicalName: 1-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate
CasNumber: 912444-90-7
MolecularFormula: C14H25NO4
MolecularWeight: 271.3526
MdlNumber: MFCD18088889
Smiles: CCOC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AH94247
ChemicalName:
1-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate
CasNumber:
912444-90-7
MolecularFormula:
C14H25NO4
MolecularWeight:
271.3526
MdlNumber:
MFCD18088889
Smiles:
CCOC(=O)C1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AH94248
ChemicalName: 2-(1-Aminoethyl)phenol
CasNumber: 89985-53-5
MolecularFormula: C8H12ClNO
MolecularWeight: 173.64
MdlNumber: MFCD09050109
Smiles: CC(c1ccccc1O)N.Cl
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AH94248
ChemicalName:
2-(1-Aminoethyl)phenol
CasNumber:
89985-53-5
MolecularFormula:
C8H12ClNO
MolecularWeight:
173.64
MdlNumber:
MFCD09050109
Smiles:
CC(c1ccccc1O)N.Cl
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
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Smiles: NCCc1c[nH]c2c1ccnc2
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Smiles: OC(=O)Cc1c(C)cccc1C
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Smiles:
OC(=O)Cc1c(C)cccc1C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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