AA08989
102281-45-8 | (2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
Manufacturer: A2B Chem
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CatalogNumber
AA08989
ChemicalName
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
CasNumber
102281-45-8
MolecularFormula
C9H12N2O2
MolecularWeight
180.20377999999997
MdlNumber
MFCD08276892
Smiles
N[C@@H](C(=O)O)Cc1ccc(cc1)N
Complexity
177
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-2.2
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CatalogNumber: AA08989
ChemicalName: (2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
CasNumber: 102281-45-8
MolecularFormula: C9H12N2O2
MolecularWeight: 180.20377999999997
MdlNumber: MFCD08276892
Smiles: N[C@@H](C(=O)O)Cc1ccc(cc1)N
Complexity: 177
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -2.2
CatalogNumber:
AA08989
ChemicalName:
(2R)-2-Amino-3-(4-aminophenyl)propanoic acid hydrate
CasNumber:
102281-45-8
MolecularFormula:
C9H12N2O2
MolecularWeight:
180.20377999999997
MdlNumber:
MFCD08276892
Smiles:
N[C@@H](C(=O)O)Cc1ccc(cc1)N
Complexity:
177
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: CN(CCOc1cc(cc(c1C)O)C(C)C)C.Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CN(CCOc1cc(cc(c1C)O)C(C)C)C.Cl
Complexity:
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__
DefinedAtomStereocenterCount:
__
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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Smiles: CS(=O)(=O)NC1CCC(CC1)CC1CCCCC1
Complexity: __
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HydrogenBondDonorCount: __
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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:
CS(=O)(=O)NC1CCC(CC1)CC1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)NC1CN2CCC1CC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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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:
CCOC(=O)NC1CN2CCC1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__