AB76386
1073372-08-3 | N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AB76386
ChemicalName
N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide
CasNumber
1073372-08-3
MolecularFormula
C13H15BN2O3
MolecularWeight
258.0808
MdlNumber
MFCD11053850
Smiles
N#CCCNC(=O)c1ccc(cc1)B1OCCCO1
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
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CatalogNumber: AB76386
ChemicalName: N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide
CasNumber: 1073372-08-3
MolecularFormula: C13H15BN2O3
MolecularWeight: 258.0808
MdlNumber: MFCD11053850
Smiles: N#CCCNC(=O)c1ccc(cc1)B1OCCCO1
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AB76386
ChemicalName:
N-(2-Cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide
CasNumber:
1073372-08-3
MolecularFormula:
C13H15BN2O3
MolecularWeight:
258.0808
MdlNumber:
MFCD11053850
Smiles:
N#CCCNC(=O)c1ccc(cc1)B1OCCCO1
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CNCCC#N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CNCCC#N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB76388
ChemicalName: N-(2-Cyanoethyl)-n-methylaniline
CasNumber: 94-34-8
MolecularFormula: C10H12N2
MolecularWeight: 160.21568
MdlNumber: MFCD00019856
Smiles: CN(c1ccccc1)CCC#N
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AB76388
ChemicalName:
N-(2-Cyanoethyl)-n-methylaniline
CasNumber:
94-34-8
MolecularFormula:
C10H12N2
MolecularWeight:
160.21568
MdlNumber:
MFCD00019856
Smiles:
CN(c1ccccc1)CCC#N
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CN(CCN(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CN(CCN(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__