AA97447
182076-49-9 | (R)-1-N-Benzyl-prolinol
Manufacturer: A2B Chem
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CatalogNumber
AA97447
ChemicalName
(R)-1-N-Benzyl-prolinol
CasNumber
182076-49-9
MolecularFormula
C12H17NO
MolecularWeight
191.2695
MdlNumber
MFCD03790915
Smiles
OC[C@H]1CCCN1Cc1ccccc1
Complexity
166
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AA97447
ChemicalName: (R)-1-N-Benzyl-prolinol
CasNumber: 182076-49-9
MolecularFormula: C12H17NO
MolecularWeight: 191.2695
MdlNumber: MFCD03790915
Smiles: OC[C@H]1CCCN1Cc1ccccc1
Complexity: 166
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA97447
ChemicalName:
(R)-1-N-Benzyl-prolinol
CasNumber:
182076-49-9
MolecularFormula:
C12H17NO
MolecularWeight:
191.2695
MdlNumber:
MFCD03790915
Smiles:
OC[C@H]1CCCN1Cc1ccccc1
Complexity:
166
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)C(c1ccc(cc1)F)OCCCc1[nH]cnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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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:
Fc1ccc(cc1)C(c1ccc(cc1)F)OCCCc1[nH]cnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(C(C=O)(C)C)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(C(C=O)(C)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(O)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(O)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__