AD96245
84499-78-5 | (S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AD96245
ChemicalName
(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
CasNumber
84499-78-5
MolecularFormula
C9H11ClF3N
MolecularWeight
225.6385
MdlNumber
MFCD11035901
Smiles
C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Complexity
159
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AD96245
ChemicalName: (S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
CasNumber: 84499-78-5
MolecularFormula: C9H11ClF3N
MolecularWeight: 225.6385
MdlNumber: MFCD11035901
Smiles: C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Complexity: 159
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AD96245
ChemicalName:
(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
CasNumber:
84499-78-5
MolecularFormula:
C9H11ClF3N
MolecularWeight:
225.6385
MdlNumber:
MFCD11035901
Smiles:
C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Complexity:
159
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
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Smiles: O=C([C@@H](N)C)OCCOCn1cnc2c1nc(N)[nH]c2=O.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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RotatableBondCount: __
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Smiles:
O=C([C@@H](N)C)OCCOCn1cnc2c1nc(N)[nH]c2=O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: Nc1ccc2c(c1)c1ncccc1o2
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Smiles:
Nc1ccc2c(c1)c1ncccc1o2
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: OCCCn1cncn1
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CatalogNumber:
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ChemicalName:
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MolecularFormula:
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MdlNumber:
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Smiles:
OCCCn1cncn1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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