AB64271
3653-34-7 | 3-Amino-5-methylhexanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64271
ChemicalName
3-Amino-5-methylhexanoic acid
CasNumber
3653-34-7
MolecularFormula
C7H15NO2
MolecularWeight
145.1995
MdlNumber
MFCD01863281
Smiles
CC(CC(CC(=O)O)N)C
Complexity
112
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
-1.7
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CatalogNumber: AB64271
ChemicalName: 3-Amino-5-methylhexanoic acid
CasNumber: 3653-34-7
MolecularFormula: C7H15NO2
MolecularWeight: 145.1995
MdlNumber: MFCD01863281
Smiles: CC(CC(CC(=O)O)N)C
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.7
CatalogNumber:
AB64271
ChemicalName:
3-Amino-5-methylhexanoic acid
CasNumber:
3653-34-7
MolecularFormula:
C7H15NO2
MolecularWeight:
145.1995
MdlNumber:
MFCD01863281
Smiles:
CC(CC(CC(=O)O)N)C
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1noc(c1)C
Complexity: 66.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1noc(c1)C
Complexity:
66.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.1
CatalogNumber: AB64273
ChemicalName: 3-Amino-5-methylthio-1h-1,2,4-triazole
CasNumber: 45534-08-5
MolecularFormula: C3H6N4S
MolecularWeight: 130.17154
MdlNumber: MFCD00005232
Smiles: CSc1nnc([nH]1)N
Complexity: 77.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AB64273
ChemicalName:
3-Amino-5-methylthio-1h-1,2,4-triazole
CasNumber:
45534-08-5
MolecularFormula:
C3H6N4S
MolecularWeight:
130.17154
MdlNumber:
MFCD00005232
Smiles:
CSc1nnc([nH]1)N
Complexity:
77.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__