AB63276
55480-45-0 | 3-(4-Methylpiperazin-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63276
ChemicalName
3-(4-Methylpiperazin-1-yl)propanoic acid
CasNumber
55480-45-0
MolecularFormula
C8H16N2O2
MolecularWeight
172.22484000000003
MdlNumber
MFCD00513444
Smiles
CN1CCN(CC1)CCC(=O)O
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-2.7
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CatalogNumber: AB63276
ChemicalName: 3-(4-Methylpiperazin-1-yl)propanoic acid
CasNumber: 55480-45-0
MolecularFormula: C8H16N2O2
MolecularWeight: 172.22484000000003
MdlNumber: MFCD00513444
Smiles: CN1CCN(CC1)CCC(=O)O
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -2.7
CatalogNumber:
AB63276
ChemicalName:
3-(4-Methylpiperazin-1-yl)propanoic acid
CasNumber:
55480-45-0
MolecularFormula:
C8H16N2O2
MolecularWeight:
172.22484000000003
MdlNumber:
MFCD00513444
Smiles:
CN1CCN(CC1)CCC(=O)O
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC1(C)NC(=O)NC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC1(C)NC(=O)NC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccc(c1)Oc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccc(c1)Oc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)c1cccc(c1)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)c1cccc(c1)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9