AF87234
329004-08-2 | 4-(4-Aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF87234
ChemicalName
4-(4-Aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber
329004-08-2
MolecularFormula
C17H27N3O2
MolecularWeight
305.4152
MdlNumber
MFCD11590790
Smiles
O=C(N1CCN(CC1)CCc1ccc(cc1)N)OC(C)(C)C
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AF87234
ChemicalName: 4-(4-Aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 329004-08-2
MolecularFormula: C17H27N3O2
MolecularWeight: 305.4152
MdlNumber: MFCD11590790
Smiles: O=C(N1CCN(CC1)CCc1ccc(cc1)N)OC(C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AF87234
ChemicalName:
4-(4-Aminophenethyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
329004-08-2
MolecularFormula:
C17H27N3O2
MolecularWeight:
305.4152
MdlNumber:
MFCD11590790
Smiles:
O=C(N1CCN(CC1)CCc1ccc(cc1)N)OC(C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc2c(c1Cl)cc(cc2Cl)C
Complexity: 313
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2c(c1Cl)cc(cc2Cl)C
Complexity:
313
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CN=C2C(=CC(=CC2=C1Br)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CN=C2C(=CC(=CC2=C1Br)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc2c(c1Cl)ccc(c2F)F
Complexity: 319
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2c(c1Cl)ccc(c2F)F
Complexity:
319
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2