AI56899
839705-03-2 | 1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hoac salt
Manufacturer: A2B Chem
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CatalogNumber
AI56899
ChemicalName
1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hoac salt
CasNumber
839705-03-2
MolecularFormula
C17H27NO4
MolecularWeight
309.4006
MdlNumber
MFCD22574092
Smiles
CC(=O)O.NCC(C1(O)CCCCC1)c1ccc(cc1)OC
Complexity
274
Covalently-bondedUnitCount
2
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI56899
ChemicalName: 1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hoac salt
CasNumber: 839705-03-2
MolecularFormula: C17H27NO4
MolecularWeight: 309.4006
MdlNumber: MFCD22574092
Smiles: CC(=O)O.NCC(C1(O)CCCCC1)c1ccc(cc1)OC
Complexity: 274
Covalently-bondedUnitCount: 2
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI56899
ChemicalName:
1-(2-Amino-1-(4-methoxyphenyl)ethyl)cyclohexanol hoac salt
CasNumber:
839705-03-2
MolecularFormula:
C17H27NO4
MolecularWeight:
309.4006
MdlNumber:
MFCD22574092
Smiles:
CC(=O)O.NCC(C1(O)CCCCC1)c1ccc(cc1)OC
Complexity:
274
Covalently-bondedUnitCount:
2
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1c(Cl)cccc1N1CCNCCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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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:
Clc1c(Cl)cccc1N1CCNCCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AI56901
ChemicalName: Rutaecarpine
CasNumber: 84-26-4
MolecularFormula: C18H13N3O
MolecularWeight: 287.3153
MdlNumber: MFCD00210551
Smiles: O=c1c2ccccc2nc2-c3c(CCn12)c1c([nH]3)cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI56901
ChemicalName:
Rutaecarpine
CasNumber:
84-26-4
MolecularFormula:
C18H13N3O
MolecularWeight:
287.3153
MdlNumber:
MFCD00210551
Smiles:
O=c1c2ccccc2nc2-c3c(CCn12)c1c([nH]3)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCN([C@H]1Cc1ccccc1)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCN([C@H]1Cc1ccccc1)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__