AE62915
1245649-33-5 | Benzylmethyl(pyrrolidin-3-ylmethyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AE62915
ChemicalName
Benzylmethyl(pyrrolidin-3-ylmethyl)carbamate
CasNumber
1245649-33-5
MolecularFormula
C14H20N2O2
MolecularWeight
248.3208
MdlNumber
MFCD08061961
Smiles
O=C(N(CC1CNCC1)C)OCc1ccccc1
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AE62915
ChemicalName: Benzylmethyl(pyrrolidin-3-ylmethyl)carbamate
CasNumber: 1245649-33-5
MolecularFormula: C14H20N2O2
MolecularWeight: 248.3208
MdlNumber: MFCD08061961
Smiles: O=C(N(CC1CNCC1)C)OCc1ccccc1
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AE62915
ChemicalName:
Benzylmethyl(pyrrolidin-3-ylmethyl)carbamate
CasNumber:
1245649-33-5
MolecularFormula:
C14H20N2O2
MolecularWeight:
248.3208
MdlNumber:
MFCD08061961
Smiles:
O=C(N(CC1CNCC1)C)OCc1ccccc1
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: NC1(CCC1)c1cccnc1
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
NC1(CCC1)c1cccnc1
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: COc1cncc(c1C(=O)O)Br
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Smiles:
COc1cncc(c1C(=O)O)Br
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: CCOC(=O)c1onc(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1onc(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__