AB49480
400756-28-7 | (1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Manufacturer: A2B Chem
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CatalogNumber
AB49480
ChemicalName
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
CasNumber
400756-28-7
MolecularFormula
C6H11N3
MolecularWeight
125.1716
MdlNumber
MFCD02055709
Smiles
NCc1cn(nc1C)C
Complexity
94.3
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AB49480
ChemicalName: (1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
CasNumber: 400756-28-7
MolecularFormula: C6H11N3
MolecularWeight: 125.1716
MdlNumber: MFCD02055709
Smiles: NCc1cn(nc1C)C
Complexity: 94.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB49480
ChemicalName:
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
CasNumber:
400756-28-7
MolecularFormula:
C6H11N3
MolecularWeight:
125.1716
MdlNumber:
MFCD02055709
Smiles:
NCc1cn(nc1C)C
Complexity:
94.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c([nH]1)cncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c([nH]1)cncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49482
ChemicalName: 4-Fluorobenzylboronic acid pinacol ester
CasNumber: 243145-83-7
MolecularFormula: C13H18BFO2
MolecularWeight: 236.0902
MdlNumber: MFCD10698519
Smiles: CC1(C)OB(OC1(C)C)Cc1ccc(cc1)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB49482
ChemicalName:
4-Fluorobenzylboronic acid pinacol ester
CasNumber:
243145-83-7
MolecularFormula:
C13H18BFO2
MolecularWeight:
236.0902
MdlNumber:
MFCD10698519
Smiles:
CC1(C)OB(OC1(C)C)Cc1ccc(cc1)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CCC[N+](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CCC[N+](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__