AA32527
1196-92-5 | Vanillylamine
Manufacturer: A2B Chem
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CatalogNumber
AA32527
ChemicalName
Vanillylamine
CasNumber
1196-92-5
MolecularFormula
C8H11NO2
MolecularWeight
153.17844
MdlNumber
MFCD00044577
Smiles
COc1cc(CN)ccc1O
Complexity
119
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AA32527
ChemicalName: Vanillylamine
CasNumber: 1196-92-5
MolecularFormula: C8H11NO2
MolecularWeight: 153.17844
MdlNumber: MFCD00044577
Smiles: COc1cc(CN)ccc1O
Complexity: 119
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AA32527
ChemicalName:
Vanillylamine
CasNumber:
1196-92-5
MolecularFormula:
C8H11NO2
MolecularWeight:
153.17844
MdlNumber:
MFCD00044577
Smiles:
COc1cc(CN)ccc1O
Complexity:
119
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: AA32528
ChemicalName: Methyl 4-bromo-1-methylpyrrole-2-carboxylate
CasNumber: 1196-90-3
MolecularFormula: C7H8BrNO2
MolecularWeight: 218.0479
MdlNumber: MFCD08275077
Smiles: Cn1cc(cc1C(=O)OC)Br
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA32528
ChemicalName:
Methyl 4-bromo-1-methylpyrrole-2-carboxylate
CasNumber:
1196-90-3
MolecularFormula:
C7H8BrNO2
MolecularWeight:
218.0479
MdlNumber:
MFCD08275077
Smiles:
Cn1cc(cc1C(=O)OC)Br
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)cc([nH]2)C
Complexity: 144
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)cc([nH]2)C
Complexity:
144
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)Nc1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)Nc1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__