AB03215
18364-71-1 | 4-[(Dimethylamino)methyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB03215
ChemicalName
4-[(Dimethylamino)methyl]benzoic acid
CasNumber
18364-71-1
MolecularFormula
C10H13NO2
MolecularWeight
179.2157
MdlNumber
MFCD04107483
Smiles
CN(Cc1ccc(cc1)C(=O)O)C
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.6
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CatalogNumber: AB03215
ChemicalName: 4-[(Dimethylamino)methyl]benzoic acid
CasNumber: 18364-71-1
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD04107483
Smiles: CN(Cc1ccc(cc1)C(=O)O)C
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.6
CatalogNumber:
AB03215
ChemicalName:
4-[(Dimethylamino)methyl]benzoic acid
CasNumber:
18364-71-1
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD04107483
Smiles:
CN(Cc1ccc(cc1)C(=O)O)C
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.6
CatalogNumber: AB03216
ChemicalName: N-Methyl-3-pyridinamine
CasNumber: 18364-47-1
MolecularFormula: C6H8N2
MolecularWeight: 108.1411
MdlNumber: MFCD01418130
Smiles: CNc1cccnc1
Complexity: 63.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB03216
ChemicalName:
N-Methyl-3-pyridinamine
CasNumber:
18364-47-1
MolecularFormula:
C6H8N2
MolecularWeight:
108.1411
MdlNumber:
MFCD01418130
Smiles:
CNc1cccnc1
Complexity:
63.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
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Smiles: O=C1CC(C2(O1)CCCC2)C(=O)O
Complexity: __
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Smiles:
O=C1CC(C2(O1)CCCC2)C(=O)O
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Smiles: O=C([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C)Nc1ccc(cc1)[N+](=O)[O-]
Complexity: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C([C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N)C)Nc1ccc(cc1)[N+](=O)[O-]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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