AB44597
42142-52-9 | Alpha-[2-(methylamino)ethyl]benzyl alcohol
Manufacturer: A2B Chem
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CatalogNumber
AB44597
ChemicalName
Alpha-[2-(methylamino)ethyl]benzyl alcohol
CasNumber
42142-52-9
MolecularFormula
C10H15NO
MolecularWeight
165.2322
MdlNumber
MFCD00674078
Smiles
CNCCC(c1ccccc1)O
Complexity
110
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AB44597
ChemicalName: Alpha-[2-(methylamino)ethyl]benzyl alcohol
CasNumber: 42142-52-9
MolecularFormula: C10H15NO
MolecularWeight: 165.2322
MdlNumber: MFCD00674078
Smiles: CNCCC(c1ccccc1)O
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AB44597
ChemicalName:
Alpha-[2-(methylamino)ethyl]benzyl alcohol
CasNumber:
42142-52-9
MolecularFormula:
C10H15NO
MolecularWeight:
165.2322
MdlNumber:
MFCD00674078
Smiles:
CNCCC(c1ccccc1)O
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AB44598
ChemicalName: 3-Hydroxy-2-methylbenzoic acid
CasNumber: 603-80-5
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD01319973
Smiles: OC(=O)c1cccc(c1C)O
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.5
CatalogNumber:
AB44598
ChemicalName:
3-Hydroxy-2-methylbenzoic acid
CasNumber:
603-80-5
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD01319973
Smiles:
OC(=O)c1cccc(c1C)O
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.5
CatalogNumber: AB44599
ChemicalName: 3-Hydroxyphenylacetic acid
CasNumber: 621-37-4
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00004337
Smiles: OC(=O)Cc1cccc(c1)O
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.9
CatalogNumber:
AB44599
ChemicalName:
3-Hydroxyphenylacetic acid
CasNumber:
621-37-4
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00004337
Smiles:
OC(=O)Cc1cccc(c1)O
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCCNC1
Complexity: 56
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCCNC1
Complexity:
56
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3