AD60436
1213939-94-6 | (S)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AD60436
ChemicalName
(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride
CasNumber
1213939-94-6
MolecularFormula
C9H11ClF3N
MolecularWeight
225.6385
MdlNumber
MFCD11100949
Smiles
C[C@@H](c1cccc(c1)C(F)(F)F)N.Cl
Complexity
167
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AD60436
ChemicalName: (S)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride
CasNumber: 1213939-94-6
MolecularFormula: C9H11ClF3N
MolecularWeight: 225.6385
MdlNumber: MFCD11100949
Smiles: C[C@@H](c1cccc(c1)C(F)(F)F)N.Cl
Complexity: 167
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AD60436
ChemicalName:
(S)-1-(3-(Trifluoromethyl)phenyl)ethanamine hydrochloride
CasNumber:
1213939-94-6
MolecularFormula:
C9H11ClF3N
MolecularWeight:
225.6385
MdlNumber:
MFCD11100949
Smiles:
C[C@@H](c1cccc(c1)C(F)(F)F)N.Cl
Complexity:
167
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1ccccc1NCC(C)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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Smiles:
COC(=O)c1ccccc1NCC(C)C
Complexity:
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HeavyAtomCount:
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Smiles: O=C(N1CCN(CC1)c1ncnc2c1nc[nH]2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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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:
O=C(N1CCN(CC1)c1ncnc2c1nc[nH]2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CCOc2c1ccc(c2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CCOc2c1ccc(c2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__