AE62514
123856-34-8 | 3-Amino-4-(cyclohexylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62514
ChemicalName
3-Amino-4-(cyclohexylamino)benzonitrile
CasNumber
123856-34-8
MolecularFormula
C13H17N3
MolecularWeight
215.2942
MdlNumber
MFCD12189558
Smiles
N#Cc1ccc(c(c1)N)NC1CCCCC1
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AE62514
ChemicalName: 3-Amino-4-(cyclohexylamino)benzonitrile
CasNumber: 123856-34-8
MolecularFormula: C13H17N3
MolecularWeight: 215.2942
MdlNumber: MFCD12189558
Smiles: N#Cc1ccc(c(c1)N)NC1CCCCC1
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AE62514
ChemicalName:
3-Amino-4-(cyclohexylamino)benzonitrile
CasNumber:
123856-34-8
MolecularFormula:
C13H17N3
MolecularWeight:
215.2942
MdlNumber:
MFCD12189558
Smiles:
N#Cc1ccc(c(c1)N)NC1CCCCC1
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AE62515
ChemicalName: 3,6-Dicyanopicoline
CasNumber: 1352318-05-8
MolecularFormula: C8H5N3
MolecularWeight: 143.1454
MdlNumber: MFCD20529525
Smiles: N#Cc1ccc(c(n1)C)C#N
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AE62515
ChemicalName:
3,6-Dicyanopicoline
CasNumber:
1352318-05-8
MolecularFormula:
C8H5N3
MolecularWeight:
143.1454
MdlNumber:
MFCD20529525
Smiles:
N#Cc1ccc(c(n1)C)C#N
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AE62516
ChemicalName: 3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid
CasNumber: 1423129-20-7
MolecularFormula: C10H13BN2O3
MolecularWeight: 220.0328
MdlNumber: MFCD22192451
Smiles: Nc1cc(cc(c1)B(O)O)C(=O)NC1CC1
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE62516
ChemicalName:
3-Amino-5-(cyclopropylcarbamoyl)phenylboronic acid
CasNumber:
1423129-20-7
MolecularFormula:
C10H13BN2O3
MolecularWeight:
220.0328
MdlNumber:
MFCD22192451
Smiles:
Nc1cc(cc(c1)B(O)O)C(=O)NC1CC1
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(c(c1)C(=O)N)N
Complexity: 185
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(c(c1)C(=O)N)N
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6