AA65884
147591-52-4 | 1-(1H-Indol-5-yl)ethanamine
Manufacturer: A2B Chem
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CatalogNumber
AA65884
ChemicalName
1-(1H-Indol-5-yl)ethanamine
CasNumber
147591-52-4
MolecularFormula
C10H12N2
MolecularWeight
160.2157
MdlNumber
MFCD01845227
Smiles
CC(c1ccc2c(c1)cc[nH]2)N
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AA65884
ChemicalName: 1-(1H-Indol-5-yl)ethanamine
CasNumber: 147591-52-4
MolecularFormula: C10H12N2
MolecularWeight: 160.2157
MdlNumber: MFCD01845227
Smiles: CC(c1ccc2c(c1)cc[nH]2)N
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AA65884
ChemicalName:
1-(1H-Indol-5-yl)ethanamine
CasNumber:
147591-52-4
MolecularFormula:
C10H12N2
MolecularWeight:
160.2157
MdlNumber:
MFCD01845227
Smiles:
CC(c1ccc2c(c1)cc[nH]2)N
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: AA65885
ChemicalName: ID-8
CasNumber: 147591-46-6
MolecularFormula: C16H14N2O4
MolecularWeight: 298.29335999999995
MdlNumber: MFCD00593367
Smiles: COc1ccc(cc1)n1c2cc(O)ccc2c(c1C)[N+](=O)[O-]
Complexity: 405
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
AA65885
ChemicalName:
ID-8
CasNumber:
147591-46-6
MolecularFormula:
C16H14N2O4
MolecularWeight:
298.29335999999995
MdlNumber:
MFCD00593367
Smiles:
COc1ccc(cc1)n1c2cc(O)ccc2c(c1C)[N+](=O)[O-]
Complexity:
405
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)oc2c(c1=O)ccc(c2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)oc2c(c1=O)ccc(c2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(C)oc2c(c1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(C)oc2c(c1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__