AA60140
139243-54-2 | (R)-3-Amino-butyric acid methyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AA60140
ChemicalName
(R)-3-Amino-butyric acid methyl ester, HCl
CasNumber
139243-54-2
MolecularFormula
C5H12ClNO2
MolecularWeight
153.6073
MdlNumber
MFCD12068616
Smiles
COC(=O)C[C@H](N)C.Cl
Complexity
82.5
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AA60140
ChemicalName: (R)-3-Amino-butyric acid methyl ester, HCl
CasNumber: 139243-54-2
MolecularFormula: C5H12ClNO2
MolecularWeight: 153.6073
MdlNumber: MFCD12068616
Smiles: COC(=O)C[C@H](N)C.Cl
Complexity: 82.5
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA60140
ChemicalName:
(R)-3-Amino-butyric acid methyl ester, HCl
CasNumber:
139243-54-2
MolecularFormula:
C5H12ClNO2
MolecularWeight:
153.6073
MdlNumber:
MFCD12068616
Smiles:
COC(=O)C[C@H](N)C.Cl
Complexity:
82.5
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1CC1=C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1CC1=C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C=C/1CN2CCC1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)OC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C=C/1CN2CCC1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)OC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C1N[C@H]2[C@H](N1)CCCC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C1N[C@H]2[C@H](N1)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__