AA88869
166438-80-8 | 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA88869
ChemicalName
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber
166438-80-8
MolecularFormula
C13H17N3
MolecularWeight
215.2942
MdlNumber
MFCD08690317
Smiles
N#Cc1ccc(cc1)N1CCCN(CC1)C
Complexity
260
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AA88869
ChemicalName: 4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber: 166438-80-8
MolecularFormula: C13H17N3
MolecularWeight: 215.2942
MdlNumber: MFCD08690317
Smiles: N#Cc1ccc(cc1)N1CCCN(CC1)C
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA88869
ChemicalName:
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CasNumber:
166438-80-8
MolecularFormula:
C13H17N3
MolecularWeight:
215.2942
MdlNumber:
MFCD08690317
Smiles:
N#Cc1ccc(cc1)N1CCCN(CC1)C
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN1CCN(CC1)c1ccc(cc1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN1CCN(CC1)c1ccc(cc1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCN(CC1)c1ccc(cc1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCN(CC1)c1ccc(cc1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA88873
ChemicalName: Di-isononyl-cyclohexane-1,2-dicarboxylate
CasNumber: 166412-78-8
MolecularFormula: C26H48O4
MolecularWeight: 424.6569
MdlNumber: MFCD16038228
Smiles: CC(CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C)C
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
RotatableBondCount: 18
Xlogp3: 8.9
CatalogNumber:
AA88873
ChemicalName:
Di-isononyl-cyclohexane-1,2-dicarboxylate
CasNumber:
166412-78-8
MolecularFormula:
C26H48O4
MolecularWeight:
424.6569
MdlNumber:
MFCD16038228
Smiles:
CC(CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C)C
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
RotatableBondCount:
18
Xlogp3:
8.9