AA37469
126645-52-1 | 4-Benzylmorpholine-2-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA37469
ChemicalName
4-Benzylmorpholine-2-carbonitrile
CasNumber
126645-52-1
MolecularFormula
C12H14N2O
MolecularWeight
202.2524
MdlNumber
MFCD08751344
Smiles
N#CC1OCCN(C1)Cc1ccccc1
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AA37469
ChemicalName: 4-Benzylmorpholine-2-carbonitrile
CasNumber: 126645-52-1
MolecularFormula: C12H14N2O
MolecularWeight: 202.2524
MdlNumber: MFCD08751344
Smiles: N#CC1OCCN(C1)Cc1ccccc1
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AA37469
ChemicalName:
4-Benzylmorpholine-2-carbonitrile
CasNumber:
126645-52-1
MolecularFormula:
C12H14N2O
MolecularWeight:
202.2524
MdlNumber:
MFCD08751344
Smiles:
N#CC1OCCN(C1)Cc1ccccc1
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C[C@H](OC(=O)C)CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C[C@H](OC(=O)C)CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MdlNumber: __
Smiles: C/C=C1/CN2[C@@H]3[C@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C=C1/CN2[C@@H]3[C@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__