AB48855
59531-86-1 | D-Alanine tert-butyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AB48855
ChemicalName
D-Alanine tert-butyl ester, HCl
CasNumber
59531-86-1
MolecularFormula
C7H16ClNO2
MolecularWeight
181.6604
MdlNumber
MFCD00077087
Smiles
O=C([C@H](N)C)OC(C)(C)C.Cl
Complexity
126
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AB48855
ChemicalName: D-Alanine tert-butyl ester, HCl
CasNumber: 59531-86-1
MolecularFormula: C7H16ClNO2
MolecularWeight: 181.6604
MdlNumber: MFCD00077087
Smiles: O=C([C@H](N)C)OC(C)(C)C.Cl
Complexity: 126
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AB48855
ChemicalName:
D-Alanine tert-butyl ester, HCl
CasNumber:
59531-86-1
MolecularFormula:
C7H16ClNO2
MolecularWeight:
181.6604
MdlNumber:
MFCD00077087
Smiles:
O=C([C@H](N)C)OC(C)(C)C.Cl
Complexity:
126
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AB48856
ChemicalName: 1-(Piperidin-4-yl)ethanone, HCl
CasNumber: 89895-06-7
MolecularFormula: C7H14ClNO
MolecularWeight: 163.6452
MdlNumber: MFCD00044810
Smiles: CC(=O)C1CC[NH2+]CC1.[Cl-]
Complexity: 106
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB48856
ChemicalName:
1-(Piperidin-4-yl)ethanone, HCl
CasNumber:
89895-06-7
MolecularFormula:
C7H14ClNO
MolecularWeight:
163.6452
MdlNumber:
MFCD00044810
Smiles:
CC(=O)C1CC[NH2+]CC1.[Cl-]
Complexity:
106
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCS
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCS
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB48858
ChemicalName: Methyl 5-bromo-1H-indazole-7-carboxylate
CasNumber: 898747-24-5
MolecularFormula: C9H7BrN2O2
MolecularWeight: 255.0681
MdlNumber: MFCD08458991
Smiles: COC(=O)c1cc(Br)cc2c1[nH]nc2
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB48858
ChemicalName:
Methyl 5-bromo-1H-indazole-7-carboxylate
CasNumber:
898747-24-5
MolecularFormula:
C9H7BrN2O2
MolecularWeight:
255.0681
MdlNumber:
MFCD08458991
Smiles:
COC(=O)c1cc(Br)cc2c1[nH]nc2
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2