AD80091
103733-33-1 | 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AD80091
ChemicalName
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
CasNumber
103733-33-1
MolecularFormula
C12H16ClNO2
MolecularWeight
241.7139
MdlNumber
MFCD08689587
Smiles
CCOC(=O)C1NCCc2c1cccc2.Cl
Complexity
230
Covalently-bondedUnitCount
2
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD80091
ChemicalName: 1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
CasNumber: 103733-33-1
MolecularFormula: C12H16ClNO2
MolecularWeight: 241.7139
MdlNumber: MFCD08689587
Smiles: CCOC(=O)C1NCCc2c1cccc2.Cl
Complexity: 230
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD80091
ChemicalName:
1,2,3,4-Tetrahydro-isoquinoline-1-carboxylic acid ethyl ester, HCl
CasNumber:
103733-33-1
MolecularFormula:
C12H16ClNO2
MolecularWeight:
241.7139
MdlNumber:
MFCD08689587
Smiles:
CCOC(=O)C1NCCc2c1cccc2.Cl
Complexity:
230
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2CC(NC(c2cc1OC)C(C)(C)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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Smiles:
COc1cc2CC(NC(c2cc1OC)C(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C=Nc1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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MolecularFormula:
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Smiles:
O=C=Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: Cc1c(sc2c1cccc2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1c(sc2c1cccc2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__