AB87528
89292-70-6 | 4-(Piperazin-1-ylmethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB87528
ChemicalName
4-(Piperazin-1-ylmethyl)benzonitrile
CasNumber
89292-70-6
MolecularFormula
C12H15N3
MolecularWeight
201.2676
MdlNumber
MFCD04972584
Smiles
N#Cc1ccc(cc1)CN1CCNCC1
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB87528
ChemicalName: 4-(Piperazin-1-ylmethyl)benzonitrile
CasNumber: 89292-70-6
MolecularFormula: C12H15N3
MolecularWeight: 201.2676
MdlNumber: MFCD04972584
Smiles: N#Cc1ccc(cc1)CN1CCNCC1
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB87528
ChemicalName:
4-(Piperazin-1-ylmethyl)benzonitrile
CasNumber:
89292-70-6
MolecularFormula:
C12H15N3
MolecularWeight:
201.2676
MdlNumber:
MFCD04972584
Smiles:
N#Cc1ccc(cc1)CN1CCNCC1
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB87535
ChemicalName: 2-(Dimethylamino)phenylboronic acid
CasNumber: 89291-23-6
MolecularFormula: C8H12BNO2
MolecularWeight: 164.99738000000002
MdlNumber: MFCD01318997
Smiles: CN(c1ccccc1B(O)O)C
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB87535
ChemicalName:
2-(Dimethylamino)phenylboronic acid
CasNumber:
89291-23-6
MolecularFormula:
C8H12BNO2
MolecularWeight:
164.99738000000002
MdlNumber:
MFCD01318997
Smiles:
CN(c1ccccc1B(O)O)C
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(n1cncc1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(n1cncc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCc1ccccc1S(=O)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCc1ccccc1S(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__