AA46753
13211-31-9 | tert-Butyl l-valinate
Manufacturer: A2B Chem
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CatalogNumber
AA46753
ChemicalName
tert-Butyl l-valinate
CasNumber
13211-31-9
MolecularFormula
C9H19NO2
MolecularWeight
173.25266
MdlNumber
MFCD00056147
Smiles
CC([C@@H](C(=O)OC(C)(C)C)N)C
Complexity
158
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AA46753
ChemicalName: tert-Butyl l-valinate
CasNumber: 13211-31-9
MolecularFormula: C9H19NO2
MolecularWeight: 173.25266
MdlNumber: MFCD00056147
Smiles: CC([C@@H](C(=O)OC(C)(C)C)N)C
Complexity: 158
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AA46753
ChemicalName:
tert-Butyl l-valinate
CasNumber:
13211-31-9
MolecularFormula:
C9H19NO2
MolecularWeight:
173.25266
MdlNumber:
MFCD00056147
Smiles:
CC([C@@H](C(=O)OC(C)(C)C)N)C
Complexity:
158
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: AA46756
ChemicalName: 4-Butyrylbiphenyl
CasNumber: 13211-01-3
MolecularFormula: C16H16O
MolecularWeight: 224.2976
MdlNumber: MFCD00041352
Smiles: CCCC(=O)c1ccc(cc1)c1ccccc1
Complexity: 232
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 4.4
CatalogNumber:
AA46756
ChemicalName:
4-Butyrylbiphenyl
CasNumber:
13211-01-3
MolecularFormula:
C16H16O
MolecularWeight:
224.2976
MdlNumber:
MFCD00041352
Smiles:
CCCC(=O)c1ccc(cc1)c1ccccc1
Complexity:
232
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
4.4
CatalogNumber: AA46757
ChemicalName: 1-(3-Amino-pyridin-4-yl)-ethanone
CasNumber: 13210-52-1
MolecularFormula: C7H8N2O
MolecularWeight: 136.15122
MdlNumber: MFCD07375078
Smiles: CC(=O)c1ccncc1N
Complexity: 136
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AA46757
ChemicalName:
1-(3-Amino-pyridin-4-yl)-ethanone
CasNumber:
13210-52-1
MolecularFormula:
C7H8N2O
MolecularWeight:
136.15122
MdlNumber:
MFCD07375078
Smiles:
CC(=O)c1ccncc1N
Complexity:
136
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)[N+](=O)[O-])C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)[N+](=O)[O-])C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__