AH95007
911372-80-0 | (S)-4-(1-Aminoethyl)benzonitrile-HCl
Manufacturer: A2B Chem
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CatalogNumber
AH95007
ChemicalName
(S)-4-(1-Aminoethyl)benzonitrile-HCl
CasNumber
911372-80-0
MolecularFormula
C9H11ClN2
MolecularWeight
182.65004000000002
MdlNumber
MFCD16295138
Smiles
N#Cc1ccc(cc1)[C@@H](N)C.Cl
Complexity
160
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AH95007
ChemicalName: (S)-4-(1-Aminoethyl)benzonitrile-HCl
CasNumber: 911372-80-0
MolecularFormula: C9H11ClN2
MolecularWeight: 182.65004000000002
MdlNumber: MFCD16295138
Smiles: N#Cc1ccc(cc1)[C@@H](N)C.Cl
Complexity: 160
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AH95007
ChemicalName:
(S)-4-(1-Aminoethyl)benzonitrile-HCl
CasNumber:
911372-80-0
MolecularFormula:
C9H11ClN2
MolecularWeight:
182.65004000000002
MdlNumber:
MFCD16295138
Smiles:
N#Cc1ccc(cc1)[C@@H](N)C.Cl
Complexity:
160
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)CCc1ccccc1OC(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
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Smiles:
OC(=O)CCc1ccccc1OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1nnn(n1)C
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Smiles:
CCOC(=O)c1nnn(n1)C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1nc(ccc1C(=O)O)C(F)(F)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1nc(ccc1C(=O)O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__