AI45058
216667-65-1 | (3S)-1-Ethylpyrrolidin-3-amine
Manufacturer: A2B Chem
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CatalogNumber
AI45058
ChemicalName
(3S)-1-Ethylpyrrolidin-3-amine
CasNumber
216667-65-1
MolecularFormula
C6H14N2
MolecularWeight
114.1888
MdlNumber
MFCD17214748
Smiles
CCN1CC[C@@H](C1)N
Complexity
72.9
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AI45058
ChemicalName: (3S)-1-Ethylpyrrolidin-3-amine
CasNumber: 216667-65-1
MolecularFormula: C6H14N2
MolecularWeight: 114.1888
MdlNumber: MFCD17214748
Smiles: CCN1CC[C@@H](C1)N
Complexity: 72.9
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AI45058
ChemicalName:
(3S)-1-Ethylpyrrolidin-3-amine
CasNumber:
216667-65-1
MolecularFormula:
C6H14N2
MolecularWeight:
114.1888
MdlNumber:
MFCD17214748
Smiles:
CCN1CC[C@@H](C1)N
Complexity:
72.9
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)c1ccc2c(c1)C(=O)N(C2=O)C(c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)C(c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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Smiles: N1CCC(CC1)c1ccccn1.Cl
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Smiles:
N1CCC(CC1)c1ccccn1.Cl
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COC(=O)CC(c1ccc(cc1)F)CC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(c1ccc(cc1)F)CC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__