AB56653
50392-78-4 | 1-Pyridin-4-yl-ethylamine
Manufacturer: A2B Chem
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CatalogNumber
AB56653
ChemicalName
1-Pyridin-4-yl-ethylamine
CasNumber
50392-78-4
MolecularFormula
C7H10N2
MolecularWeight
122.1677
MdlNumber
MFCD02245004
Smiles
CC(c1ccncc1)N
NscNumber
63919
Complexity
77
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AB56653
ChemicalName: 1-Pyridin-4-yl-ethylamine
CasNumber: 50392-78-4
MolecularFormula: C7H10N2
MolecularWeight: 122.1677
MdlNumber: MFCD02245004
Smiles: CC(c1ccncc1)N
NscNumber: 63919
Complexity: 77
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AB56653
ChemicalName:
1-Pyridin-4-yl-ethylamine
CasNumber:
50392-78-4
MolecularFormula:
C7H10N2
MolecularWeight:
122.1677
MdlNumber:
MFCD02245004
Smiles:
CC(c1ccncc1)N
NscNumber:
63919
Complexity:
77
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
CatalogNumber: AB56654
ChemicalName: 1-(4-Pyridyl)pyridinium chloride hydrochloride hydrate
CasNumber: 5421-92-1
MolecularFormula: C10H10Cl2N2
MolecularWeight: 229.1058
MdlNumber: MFCD04038041
Smiles: c1cc[n+](cc1)c1ccncc1.[Cl-].Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB56654
ChemicalName:
1-(4-Pyridyl)pyridinium chloride hydrochloride hydrate
CasNumber:
5421-92-1
MolecularFormula:
C10H10Cl2N2
MolecularWeight:
229.1058
MdlNumber:
MFCD04038041
Smiles:
c1cc[n+](cc1)c1ccncc1.[Cl-].Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)CN1CCNCC1)(C)C
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)CN1CCNCC1)(C)C
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8