AA43180
127852-22-6 | (S)-3-(1-Aminoethyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA43180
ChemicalName
(S)-3-(1-Aminoethyl)benzonitrile
CasNumber
127852-22-6
MolecularFormula
C9H10N2
MolecularWeight
146.1891
MdlNumber
MFCD06761821
Smiles
N#Cc1cccc(c1)[C@@H](N)C
Complexity
168
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AA43180
ChemicalName: (S)-3-(1-Aminoethyl)benzonitrile
CasNumber: 127852-22-6
MolecularFormula: C9H10N2
MolecularWeight: 146.1891
MdlNumber: MFCD06761821
Smiles: N#Cc1cccc(c1)[C@@H](N)C
Complexity: 168
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AA43180
ChemicalName:
(S)-3-(1-Aminoethyl)benzonitrile
CasNumber:
127852-22-6
MolecularFormula:
C9H10N2
MolecularWeight:
146.1891
MdlNumber:
MFCD06761821
Smiles:
N#Cc1cccc(c1)[C@@H](N)C
Complexity:
168
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C[C@@H](c1cccc(c1)C(F)(F)F)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
C[C@@H](c1cccc(c1)C(F)(F)F)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: c1ccc(cc1)c1nnc(s1)NC1=NCCN1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1ccc(cc1)c1nnc(s1)NC1=NCCN1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1ccccc1/C=C/C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1ccccc1/C=C/C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__