AA52617
13338-63-1 | 3,4,5-Trimethoxyphenylacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA52617
ChemicalName
3,4,5-Trimethoxyphenylacetonitrile
CasNumber
13338-63-1
MolecularFormula
C11H13NO3
MolecularWeight
207.2258
MdlNumber
MFCD00001912
Smiles
N#CCc1cc(OC)c(c(c1)OC)OC
NscNumber
97556
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.1
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CatalogNumber: AA52617
ChemicalName: 3,4,5-Trimethoxyphenylacetonitrile
CasNumber: 13338-63-1
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD00001912
Smiles: N#CCc1cc(OC)c(c(c1)OC)OC
NscNumber: 97556
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AA52617
ChemicalName:
3,4,5-Trimethoxyphenylacetonitrile
CasNumber:
13338-63-1
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD00001912
Smiles:
N#CCc1cc(OC)c(c(c1)OC)OC
NscNumber:
97556
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2CCN=Cc2c(c1OC)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2CCN=Cc2c(c1OC)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA52619
ChemicalName: 2-(Chloromethyl)-4,5-dihydro-1h-imidazole, HCl
CasNumber: 13338-49-3
MolecularFormula: C4H8Cl2N2
MolecularWeight: 155.0257
MdlNumber: MFCD04115823
Smiles: ClCC1=NCCN1.Cl
NscNumber: 187479
Complexity: 89.7
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA52619
ChemicalName:
2-(Chloromethyl)-4,5-dihydro-1h-imidazole, HCl
CasNumber:
13338-49-3
MolecularFormula:
C4H8Cl2N2
MolecularWeight:
155.0257
MdlNumber:
MFCD04115823
Smiles:
ClCC1=NCCN1.Cl
NscNumber:
187479
Complexity:
89.7
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CC(=NN=C(C1)c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CC(=NN=C(C1)c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__