AB65853
694499-26-8 | 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AB65853
ChemicalName
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
CasNumber
694499-26-8
MolecularFormula
C13H18F3N3
MolecularWeight
273.2973
MdlNumber
MFCD09909924
Smiles
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)N
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB65853
ChemicalName: 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
CasNumber: 694499-26-8
MolecularFormula: C13H18F3N3
MolecularWeight: 273.2973
MdlNumber: MFCD09909924
Smiles: CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)N
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB65853
ChemicalName:
4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline
CasNumber:
694499-26-8
MolecularFormula:
C13H18F3N3
MolecularWeight:
273.2973
MdlNumber:
MFCD09909924
Smiles:
CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)N
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AB65854
ChemicalName: 4-Morpholinophenylboronic acid, pinacol ester
CasNumber: 568577-88-8
MolecularFormula: C16H24BNO3
MolecularWeight: 289.17765999999995
MdlNumber: MFCD04112544
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCOCC1
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB65854
ChemicalName:
4-Morpholinophenylboronic acid, pinacol ester
CasNumber:
568577-88-8
MolecularFormula:
C16H24BNO3
MolecularWeight:
289.17765999999995
MdlNumber:
MFCD04112544
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCOCC1
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1)Cc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)Cc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__