AI58886
881040-13-7 | 1-(2-Pyrrolidinylmethyl)azepane
Manufacturer: A2B Chem
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CatalogNumber
AI58886
ChemicalName
1-(2-Pyrrolidinylmethyl)azepane
CasNumber
881040-13-7
MolecularFormula
C11H22N2
MolecularWeight
182.3058
MdlNumber
MFCD06653331
Smiles
C1CCCN(CC1)CC1CCCN1
Complexity
139
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AI58886
ChemicalName: 1-(2-Pyrrolidinylmethyl)azepane
CasNumber: 881040-13-7
MolecularFormula: C11H22N2
MolecularWeight: 182.3058
MdlNumber: MFCD06653331
Smiles: C1CCCN(CC1)CC1CCCN1
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI58886
ChemicalName:
1-(2-Pyrrolidinylmethyl)azepane
CasNumber:
881040-13-7
MolecularFormula:
C11H22N2
MolecularWeight:
182.3058
MdlNumber:
MFCD06653331
Smiles:
C1CCCN(CC1)CC1CCCN1
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCSc1ccccc1c1nnc(s1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCSc1ccccc1c1nnc(s1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: NC(c1ccc(cc1)OCCc1ccccc1)CC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC(c1ccc(cc1)OCCc1ccccc1)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Clc1ccc(cc1)c1cc2c([nH]1)c(Cl)ccc2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1cc2c([nH]1)c(Cl)ccc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__