AF36918
22374-51-2 | 2-Amino-2-ethylbutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AF36918
ChemicalName
2-Amino-2-ethylbutanenitrile
CasNumber
22374-51-2
MolecularFormula
C6H12N2
MolecularWeight
112.1729
MdlNumber
MFCD09730785
Smiles
CCC(C#N)(CC)N
Complexity
105
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AF36918
ChemicalName: 2-Amino-2-ethylbutanenitrile
CasNumber: 22374-51-2
MolecularFormula: C6H12N2
MolecularWeight: 112.1729
MdlNumber: MFCD09730785
Smiles: CCC(C#N)(CC)N
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AF36918
ChemicalName:
2-Amino-2-ethylbutanenitrile
CasNumber:
22374-51-2
MolecularFormula:
C6H12N2
MolecularWeight:
112.1729
MdlNumber:
MFCD09730785
Smiles:
CCC(C#N)(CC)N
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AF36919
ChemicalName: 4-(2-Aminophenoxy)benzonitrile
CasNumber: 30202-92-7
MolecularFormula: C13H10N2O
MolecularWeight: 210.2313
MdlNumber: MFCD00458960
Smiles: N#Cc1ccc(cc1)Oc1ccccc1N
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AF36919
ChemicalName:
4-(2-Aminophenoxy)benzonitrile
CasNumber:
30202-92-7
MolecularFormula:
C13H10N2O
MolecularWeight:
210.2313
MdlNumber:
MFCD00458960
Smiles:
N#Cc1ccc(cc1)Oc1ccccc1N
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NCc1ccccc1)CNC(=O)OCc1ccccc1
Complexity: 348
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NCc1ccccc1)CNC(=O)OCc1ccccc1
Complexity:
348
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)NCc1ccccc1)C)OCc1ccccc1
Complexity: 375
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)NCc1ccccc1)C)OCc1ccccc1
Complexity:
375
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7