AF31293
30218-58-7 | 5-Methylgramine
Manufacturer: A2B Chem
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CatalogNumber
AF31293
ChemicalName
5-Methylgramine
CasNumber
30218-58-7
MolecularFormula
C12H16N2
MolecularWeight
188.2688
MdlNumber
MFCD00022732
Smiles
CN(Cc1c[nH]c2c1cc(C)cc2)C
NscNumber
88884
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AF31293
ChemicalName: 5-Methylgramine
CasNumber: 30218-58-7
MolecularFormula: C12H16N2
MolecularWeight: 188.2688
MdlNumber: MFCD00022732
Smiles: CN(Cc1c[nH]c2c1cc(C)cc2)C
NscNumber: 88884
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF31293
ChemicalName:
5-Methylgramine
CasNumber:
30218-58-7
MolecularFormula:
C12H16N2
MolecularWeight:
188.2688
MdlNumber:
MFCD00022732
Smiles:
CN(Cc1c[nH]c2c1cc(C)cc2)C
NscNumber:
88884
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
NscNumber: __
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCCCCCCCCCCCCCCCOCCO
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Smiles:
CCCCCCCCCCCCCCCCOCCO
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC(=O)[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__