AI47450
31928-20-8 | Methyl 2-amino-3,4-dimethylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI47450
ChemicalName
Methyl 2-amino-3,4-dimethylbenzoate
CasNumber
31928-20-8
MolecularFormula
C10H13NO2
MolecularWeight
179.2157
MdlNumber
MFCD12159829
Smiles
COC(=O)c1ccc(c(c1N)C)C
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AI47450
ChemicalName: Methyl 2-amino-3,4-dimethylbenzoate
CasNumber: 31928-20-8
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD12159829
Smiles: COC(=O)c1ccc(c(c1N)C)C
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI47450
ChemicalName:
Methyl 2-amino-3,4-dimethylbenzoate
CasNumber:
31928-20-8
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD12159829
Smiles:
COC(=O)c1ccc(c(c1N)C)C
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1C)ncnc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1C)ncnc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI47452
ChemicalName: 3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
CasNumber: 3193-51-9
MolecularFormula: C5H12ClNO2S
MolecularWeight: 185.67228
MdlNumber: MFCD00195963
Smiles: NCC1CCS(=O)(=O)C1.Cl
Complexity: 180
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI47452
ChemicalName:
3-(Aminomethyl)tetrahydrothiophene 1,1-dioxide hydrochloride
CasNumber:
3193-51-9
MolecularFormula:
C5H12ClNO2S
MolecularWeight:
185.67228
MdlNumber:
MFCD00195963
Smiles:
NCC1CCS(=O)(=O)C1.Cl
Complexity:
180
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC1CN(C1)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC1CN(C1)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__