AB44829
2393-18-2 | 4-Aminocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44829
ChemicalName
4-Aminocinnamic acid
CasNumber
2393-18-2
MolecularFormula
C9H9NO2
MolecularWeight
163.1733
MdlNumber
MFCD00017117
Smiles
OC(=O)C=Cc1ccc(cc1)N
NscNumber
1780
Complexity
181
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB44829
ChemicalName: 4-Aminocinnamic acid
CasNumber: 2393-18-2
MolecularFormula: C9H9NO2
MolecularWeight: 163.1733
MdlNumber: MFCD00017117
Smiles: OC(=O)C=Cc1ccc(cc1)N
NscNumber: 1780
Complexity: 181
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB44829
ChemicalName:
4-Aminocinnamic acid
CasNumber:
2393-18-2
MolecularFormula:
C9H9NO2
MolecularWeight:
163.1733
MdlNumber:
MFCD00017117
Smiles:
OC(=O)C=Cc1ccc(cc1)N
NscNumber:
1780
Complexity:
181
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB44830
ChemicalName: 4-Aminocyclohexan-1-one, HCl
CasNumber: 675112-40-0
MolecularFormula: C6H12ClNO
MolecularWeight: 149.6186
MdlNumber: MFCD06659765
Smiles: NC1CCC(=O)CC1.Cl
NscNumber: __
Complexity: 90.7
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB44830
ChemicalName:
4-Aminocyclohexan-1-one, HCl
CasNumber:
675112-40-0
MolecularFormula:
C6H12ClNO
MolecularWeight:
149.6186
MdlNumber:
MFCD06659765
Smiles:
NC1CCC(=O)CC1.Cl
NscNumber:
__
Complexity:
90.7
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1CCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc2c1CCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)N)O)C
NscNumber: __
Complexity: 521
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)N)O)C
NscNumber:
__
Complexity:
521
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2