AD60639
204078-93-3 | 2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD60639
ChemicalName
2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber
204078-93-3
MolecularFormula
C13H17N3
MolecularWeight
215.2942
MdlNumber
MFCD09065002
Smiles
N#Cc1ccccc1N1CCCN(CC1)C
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AD60639
ChemicalName: 2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber: 204078-93-3
MolecularFormula: C13H17N3
MolecularWeight: 215.2942
MdlNumber: MFCD09065002
Smiles: N#Cc1ccccc1N1CCCN(CC1)C
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AD60639
ChemicalName:
2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber:
204078-93-3
MolecularFormula:
C13H17N3
MolecularWeight:
215.2942
MdlNumber:
MFCD09065002
Smiles:
N#Cc1ccccc1N1CCCN(CC1)C
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: AD60640
ChemicalName: 4-(Isopropylamino)benzonitrile
CasNumber: 204078-26-2
MolecularFormula: C10H12N2
MolecularWeight: 160.21568
MdlNumber: MFCD11145772
Smiles: CC(Nc1ccc(cc1)C#N)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AD60640
ChemicalName:
4-(Isopropylamino)benzonitrile
CasNumber:
204078-26-2
MolecularFormula:
C10H12N2
MolecularWeight:
160.21568
MdlNumber:
MFCD11145772
Smiles:
CC(Nc1ccc(cc1)C#N)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C
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Smiles:
COc1ccc(nc1)C1(CCCCC1)CNC(=O)[C@](Cc1c[nH]c2c1cccc2)(NC(=O)Nc1ccc(cc1)[N+](=O)[O-])C
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SCCCCCCCCC(=O)O
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