AA42473
127310-66-1 | (1-Benzylazetidine-2,4-diyl)dimethanol
Manufacturer: A2B Chem
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CatalogNumber
AA42473
ChemicalName
(1-Benzylazetidine-2,4-diyl)dimethanol
CasNumber
127310-66-1
MolecularFormula
C12H17NO2
MolecularWeight
207.2689
MdlNumber
MFCD17215364
Smiles
OC[C@@H]1C[C@@H](N1Cc1ccccc1)CO
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
0.7
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CatalogNumber: AA42473
ChemicalName: (1-Benzylazetidine-2,4-diyl)dimethanol
CasNumber: 127310-66-1
MolecularFormula: C12H17NO2
MolecularWeight: 207.2689
MdlNumber: MFCD17215364
Smiles: OC[C@@H]1C[C@@H](N1Cc1ccccc1)CO
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.7
CatalogNumber:
AA42473
ChemicalName:
(1-Benzylazetidine-2,4-diyl)dimethanol
CasNumber:
127310-66-1
MolecularFormula:
C12H17NO2
MolecularWeight:
207.2689
MdlNumber:
MFCD17215364
Smiles:
OC[C@@H]1C[C@@H](N1Cc1ccccc1)CO
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)C(c1ccccc1)O[C@@H]1CCCN(C1)CCc1ccc2c(c1)OCO2.OC(=O)/C=C/C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)C(c1ccccc1)O[C@@H]1CCCN(C1)CCc1ccc2c(c1)OCO2.OC(=O)/C=C/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1C[C@@H](N1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1C[C@@H](N1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CC(C1)C1COC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CC(C1)C1COC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__