AC82716
7179-99-9 | Oxan-3-ylmethanamine
Manufacturer: A2B Chem
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CatalogNumber
AC82716
ChemicalName
Oxan-3-ylmethanamine
CasNumber
7179-99-9
MolecularFormula
C6H13NO
MolecularWeight
115.17351999999998
MdlNumber
MFCD07371526
Smiles
NCC1CCCOC1
Complexity
65.5
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AC82716
ChemicalName: Oxan-3-ylmethanamine
CasNumber: 7179-99-9
MolecularFormula: C6H13NO
MolecularWeight: 115.17351999999998
MdlNumber: MFCD07371526
Smiles: NCC1CCCOC1
Complexity: 65.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AC82716
ChemicalName:
Oxan-3-ylmethanamine
CasNumber:
7179-99-9
MolecularFormula:
C6H13NO
MolecularWeight:
115.17351999999998
MdlNumber:
MFCD07371526
Smiles:
NCC1CCCOC1
Complexity:
65.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: AC82718
ChemicalName: N-Methyl-1-(tetrahydro-2h-pyran-2-yl)methanamine
CasNumber: 7179-96-6
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD06738978
Smiles: CNCC1CCCCO1
Complexity: 75.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AC82718
ChemicalName:
N-Methyl-1-(tetrahydro-2h-pyran-2-yl)methanamine
CasNumber:
7179-96-6
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD06738978
Smiles:
CNCC1CCCCO1
Complexity:
75.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
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Smiles: CCOc1cccc2c1oc(=N)c(c2)C(=S)N
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Smiles:
CCOc1cccc2c1oc(=N)c(c2)C(=S)N
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HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCN(S(=O)(=O)c1ccc(c(c1)N)Cl)CC
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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:
__
MdlNumber:
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Smiles:
CCN(S(=O)(=O)c1ccc(c(c1)N)Cl)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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