AH53495
856563-12-7 | (1S)-1-(2,4-Dimethylphenyl)ethan-1-amine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AH53495
ChemicalName
(1S)-1-(2,4-Dimethylphenyl)ethan-1-amine hydrochloride
CasNumber
856563-12-7
MolecularFormula
C10H16ClN
MolecularWeight
185.6937
MdlNumber
MFCD06761866
Smiles
Cc1ccc(c(c1)C)[C@@H](N)C.Cl
Complexity
122
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AH53495
ChemicalName: (1S)-1-(2,4-Dimethylphenyl)ethan-1-amine hydrochloride
CasNumber: 856563-12-7
MolecularFormula: C10H16ClN
MolecularWeight: 185.6937
MdlNumber: MFCD06761866
Smiles: Cc1ccc(c(c1)C)[C@@H](N)C.Cl
Complexity: 122
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AH53495
ChemicalName:
(1S)-1-(2,4-Dimethylphenyl)ethan-1-amine hydrochloride
CasNumber:
856563-12-7
MolecularFormula:
C10H16ClN
MolecularWeight:
185.6937
MdlNumber:
MFCD06761866
Smiles:
Cc1ccc(c(c1)C)[C@@H](N)C.Cl
Complexity:
122
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
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Smiles: CCC(C(=O)O)OC1=CC=C(C=C1)OCC
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Smiles:
CCC(C(=O)O)OC1=CC=C(C=C1)OCC
Complexity:
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Smiles: C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2=CC=CC=C2
Complexity: __
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MolecularWeight:
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Smiles:
C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2=CC=CC=C2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__