AG18736
444643-09-8 | (S)-1-(3-Fluorophenyl)ethanamine
Manufacturer: A2B Chem
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CatalogNumber
AG18736
ChemicalName
(S)-1-(3-Fluorophenyl)ethanamine
CasNumber
444643-09-8
MolecularFormula
C8H10FN
MolecularWeight
139.1701
MdlNumber
MFCD06761860
Smiles
Fc1cccc(c1)[C@@H](N)C
Complexity
105
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AG18736
ChemicalName: (S)-1-(3-Fluorophenyl)ethanamine
CasNumber: 444643-09-8
MolecularFormula: C8H10FN
MolecularWeight: 139.1701
MdlNumber: MFCD06761860
Smiles: Fc1cccc(c1)[C@@H](N)C
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AG18736
ChemicalName:
(S)-1-(3-Fluorophenyl)ethanamine
CasNumber:
444643-09-8
MolecularFormula:
C8H10FN
MolecularWeight:
139.1701
MdlNumber:
MFCD06761860
Smiles:
Fc1cccc(c1)[C@@H](N)C
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
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Smiles: Brc1ccc2c(c1)c(ncn2)C(=O)[O-].[NH4+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1ccc2c(c1)c(ncn2)C(=O)[O-].[NH4+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: O=C(OC(C)(C)C)N[C@@H](C(=O)O)CC1CCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CC1CCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__