AD27970
204078-86-4 | 2-(Isobutylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD27970
ChemicalName
2-(Isobutylamino)benzonitrile
CasNumber
204078-86-4
MolecularFormula
C11H14N2
MolecularWeight
174.2423
MdlNumber
MFCD11144635
Smiles
N#Cc1ccccc1NCC(C)C
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AD27970
ChemicalName: 2-(Isobutylamino)benzonitrile
CasNumber: 204078-86-4
MolecularFormula: C11H14N2
MolecularWeight: 174.2423
MdlNumber: MFCD11144635
Smiles: N#Cc1ccccc1NCC(C)C
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AD27970
ChemicalName:
2-(Isobutylamino)benzonitrile
CasNumber:
204078-86-4
MolecularFormula:
C11H14N2
MolecularWeight:
174.2423
MdlNumber:
MFCD11144635
Smiles:
N#Cc1ccccc1NCC(C)C
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCC/C=C/C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCC/C=C/C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD27972
ChemicalName: 3-Morpholin-4-ylbenzonitrile
CasNumber: 204078-31-9
MolecularFormula: C11H12N2O
MolecularWeight: 188.2258
MdlNumber: MFCD07368523
Smiles: N#Cc1cccc(c1)N1CCOCC1
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AD27972
ChemicalName:
3-Morpholin-4-ylbenzonitrile
CasNumber:
204078-31-9
MolecularFormula:
C11H12N2O
MolecularWeight:
188.2258
MdlNumber:
MFCD07368523
Smiles:
N#Cc1cccc(c1)N1CCOCC1
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1[nH]cc2c1CCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1[nH]cc2c1CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__