AB52637
91342-74-4 | 3-((Dimethylamino)methyl)-5-methylhexan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB52637
ChemicalName
3-((Dimethylamino)methyl)-5-methylhexan-2-one
CasNumber
91342-74-4
MolecularFormula
C10H21NO
MolecularWeight
171.2798
MdlNumber
MFCD22683881
Smiles
CC(CC(C(=O)C)CN(C)C)C
Complexity
141
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB52637
ChemicalName: 3-((Dimethylamino)methyl)-5-methylhexan-2-one
CasNumber: 91342-74-4
MolecularFormula: C10H21NO
MolecularWeight: 171.2798
MdlNumber: MFCD22683881
Smiles: CC(CC(C(=O)C)CN(C)C)C
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB52637
ChemicalName:
3-((Dimethylamino)methyl)-5-methylhexan-2-one
CasNumber:
91342-74-4
MolecularFormula:
C10H21NO
MolecularWeight:
171.2798
MdlNumber:
MFCD22683881
Smiles:
CC(CC(C(=O)C)CN(C)C)C
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB52639
ChemicalName: 1-Methyl-1h-pyrazole-4-carbonitrile
CasNumber: 66121-71-9
MolecularFormula: C5H5N3
MolecularWeight: 107.1133
MdlNumber: MFCD04969704
Smiles: N#Cc1cnn(c1)C
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB52639
ChemicalName:
1-Methyl-1h-pyrazole-4-carbonitrile
CasNumber:
66121-71-9
MolecularFormula:
C5H5N3
MolecularWeight:
107.1133
MdlNumber:
MFCD04969704
Smiles:
N#Cc1cnn(c1)C
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1sc2c(c1=O)cccc2
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1sc2c(c1=O)cccc2
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7