AA98328
182634-34-0 | 2H-1,3-Benzodioxol-4-ylmethanamine
Manufacturer: A2B Chem
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CatalogNumber
AA98328
ChemicalName
2H-1,3-Benzodioxol-4-ylmethanamine
CasNumber
182634-34-0
MolecularFormula
C8H9NO2
MolecularWeight
151.1626
MdlNumber
MFCD11858181
Smiles
NCc1cccc2c1OCO2
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AA98328
ChemicalName: 2H-1,3-Benzodioxol-4-ylmethanamine
CasNumber: 182634-34-0
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD11858181
Smiles: NCc1cccc2c1OCO2
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AA98328
ChemicalName:
2H-1,3-Benzodioxol-4-ylmethanamine
CasNumber:
182634-34-0
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD11858181
Smiles:
NCc1cccc2c1OCO2
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1csc(c1)c1ccc(nc1)c1ccc(cn1)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
c1csc(c1)c1ccc(nc1)c1ccc(cn1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: COc1cccc(c1)C(=O)CC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cccc(c1)C(=O)CC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)C(F)(F)F)n1cnc2c1ncnc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)C(F)(F)F)n1cnc2c1ncnc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__