AI53371
5985-28-4 | 4-[1-Hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (salt)
Manufacturer: A2B Chem
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CatalogNumber
AI53371
ChemicalName
4-[1-Hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (salt)
CasNumber
5985-28-4
MolecularFormula
C9H14ClNO2
MolecularWeight
203.666
MdlNumber
MFCD00050566
Smiles
CNCC(c1ccc(cc1)O)O.Cl
Complexity
122
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI53371
ChemicalName: 4-[1-Hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (salt)
CasNumber: 5985-28-4
MolecularFormula: C9H14ClNO2
MolecularWeight: 203.666
MdlNumber: MFCD00050566
Smiles: CNCC(c1ccc(cc1)O)O.Cl
Complexity: 122
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI53371
ChemicalName:
4-[1-Hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (salt)
CasNumber:
5985-28-4
MolecularFormula:
C9H14ClNO2
MolecularWeight:
203.666
MdlNumber:
MFCD00050566
Smiles:
CNCC(c1ccc(cc1)O)O.Cl
Complexity:
122
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCN1CC(CC1=O)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
CCCCN1CC(CC1=O)C(=O)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: O=C(c1ccc(o1)Br)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(o1)Br)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(o1)Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(o1)Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__