AC07275
881040-70-6 | Hexahydro-2-[(3-methyl-4-pyridinyl)methyl]-1h-azepine
Manufacturer: A2B Chem
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CatalogNumber
AC07275
ChemicalName
Hexahydro-2-[(3-methyl-4-pyridinyl)methyl]-1h-azepine
CasNumber
881040-70-6
MolecularFormula
C13H20N2
MolecularWeight
204.3113
MdlNumber
MFCD06653408
Smiles
Cc1cnccc1CC1CCCCCN1
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AC07275
ChemicalName: Hexahydro-2-[(3-methyl-4-pyridinyl)methyl]-1h-azepine
CasNumber: 881040-70-6
MolecularFormula: C13H20N2
MolecularWeight: 204.3113
MdlNumber: MFCD06653408
Smiles: Cc1cnccc1CC1CCCCCN1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AC07275
ChemicalName:
Hexahydro-2-[(3-methyl-4-pyridinyl)methyl]-1h-azepine
CasNumber:
881040-70-6
MolecularFormula:
C13H20N2
MolecularWeight:
204.3113
MdlNumber:
MFCD06653408
Smiles:
Cc1cnccc1CC1CCCCCN1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CCc1ccc(nc1)CC1CCCCCN1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCc1ccc(nc1)CC1CCCCCN1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: O=C(c1ccco1)Nc1nc2c(s1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1ccco1)Nc1nc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: CCC(c1ccc(c(c1)S(=O)(=O)C)OC)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1ccc(c(c1)S(=O)(=O)C)OC)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__