AF87762
355022-21-8 | 3-Amino-4-(propylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF87762
ChemicalName
3-Amino-4-(propylamino)benzonitrile
CasNumber
355022-21-8
MolecularFormula
C10H13N3
MolecularWeight
175.2303
MdlNumber
MFCD12189559
Smiles
CCCNc1ccc(cc1N)C#N
Complexity
194
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AF87762
ChemicalName: 3-Amino-4-(propylamino)benzonitrile
CasNumber: 355022-21-8
MolecularFormula: C10H13N3
MolecularWeight: 175.2303
MdlNumber: MFCD12189559
Smiles: CCCNc1ccc(cc1N)C#N
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AF87762
ChemicalName:
3-Amino-4-(propylamino)benzonitrile
CasNumber:
355022-21-8
MolecularFormula:
C10H13N3
MolecularWeight:
175.2303
MdlNumber:
MFCD12189559
Smiles:
CCCNc1ccc(cc1N)C#N
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AF87763
ChemicalName: 5-Bromo-2-(4-ethylpiperidino)pyridine
CasNumber: 364794-57-0
MolecularFormula: C11H16BrN3
MolecularWeight: 270.1688
MdlNumber: MFCD09910224
Smiles: CCN1CCN(CC1)c1ccc(cn1)Br
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF87763
ChemicalName:
5-Bromo-2-(4-ethylpiperidino)pyridine
CasNumber:
364794-57-0
MolecularFormula:
C11H16BrN3
MolecularWeight:
270.1688
MdlNumber:
MFCD09910224
Smiles:
CCN1CCN(CC1)c1ccc(cn1)Br
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 334
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
334
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AF87765
ChemicalName: 4-(2-Cyanophenyl)benzonitrile
CasNumber: 42289-52-1
MolecularFormula: C14H8N2
MolecularWeight: 204.2267
MdlNumber: MFCD05980346
Smiles: N#Cc1ccc(cc1)c1ccccc1C#N
Complexity: 321
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AF87765
ChemicalName:
4-(2-Cyanophenyl)benzonitrile
CasNumber:
42289-52-1
MolecularFormula:
C14H8N2
MolecularWeight:
204.2267
MdlNumber:
MFCD05980346
Smiles:
N#Cc1ccc(cc1)c1ccccc1C#N
Complexity:
321
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.3