AD58139
2242-31-1 | (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
Manufacturer: A2B Chem
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CatalogNumber
AD58139
ChemicalName
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
CasNumber
2242-31-1
MolecularFormula
C10H13NO2
MolecularWeight
179.2157
MdlNumber
MFCD01659517
Smiles
CNCC1COc2c(O1)cccc2
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AD58139
ChemicalName: (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
CasNumber: 2242-31-1
MolecularFormula: C10H13NO2
MolecularWeight: 179.2157
MdlNumber: MFCD01659517
Smiles: CNCC1COc2c(O1)cccc2
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AD58139
ChemicalName:
(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
CasNumber:
2242-31-1
MolecularFormula:
C10H13NO2
MolecularWeight:
179.2157
MdlNumber:
MFCD01659517
Smiles:
CNCC1COc2c(O1)cccc2
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Ca+2]
Complexity:
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Covalently-bondedUnitCount:
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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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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCOC(C)(C)C)(O)C
Complexity: 111
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
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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:
CC(CCOC(C)(C)C)(O)C
Complexity:
111
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)C(C)C)NC(=O)[C@H]([C@H](CC)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)C(C)C)NC(=O)[C@H]([C@H](CC)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__