AD12704
912342-10-0 | (R)-Methyl 4-(1-aminoethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD12704
ChemicalName
(R)-Methyl 4-(1-aminoethyl)benzoate
CasNumber
912342-10-0
MolecularFormula
C10H13NO2
MolecularWeight
179.21572000000003
MdlNumber
MFCD06762071
Smiles
COC(=O)c1ccc(cc1)[C@H](N)C
Complexity
174
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AD12704
ChemicalName: (R)-Methyl 4-(1-aminoethyl)benzoate
CasNumber: 912342-10-0
MolecularFormula: C10H13NO2
MolecularWeight: 179.21572000000003
MdlNumber: MFCD06762071
Smiles: COC(=O)c1ccc(cc1)[C@H](N)C
Complexity: 174
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AD12704
ChemicalName:
(R)-Methyl 4-(1-aminoethyl)benzoate
CasNumber:
912342-10-0
MolecularFormula:
C10H13NO2
MolecularWeight:
179.21572000000003
MdlNumber:
MFCD06762071
Smiles:
COC(=O)c1ccc(cc1)[C@H](N)C
Complexity:
174
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
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Smiles: CCOC(=O)c1noc2c1CNCC2
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCOC(=O)c1noc2c1CNCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OC(C)(C)C)NC1CCCC=C1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)NC1CCCC=C1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1Cl)N)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1Cl)N)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__