AI29870
1314791-16-6 | 2-[4-(Boc-Amino)phenyl]-2-methylpropanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AI29870
ChemicalName
2-[4-(Boc-Amino)phenyl]-2-methylpropanenitrile
CasNumber
1314791-16-6
MolecularFormula
C15H20N2O2
MolecularWeight
260.3315
MdlNumber
MFCD19695271
Smiles
N#CC(c1ccc(cc1)NC(=O)OC(C)(C)C)(C)C
Complexity
365
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AI29870
ChemicalName: 2-[4-(Boc-Amino)phenyl]-2-methylpropanenitrile
CasNumber: 1314791-16-6
MolecularFormula: C15H20N2O2
MolecularWeight: 260.3315
MdlNumber: MFCD19695271
Smiles: N#CC(c1ccc(cc1)NC(=O)OC(C)(C)C)(C)C
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AI29870
ChemicalName:
2-[4-(Boc-Amino)phenyl]-2-methylpropanenitrile
CasNumber:
1314791-16-6
MolecularFormula:
C15H20N2O2
MolecularWeight:
260.3315
MdlNumber:
MFCD19695271
Smiles:
N#CC(c1ccc(cc1)NC(=O)OC(C)(C)C)(C)C
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(n1ccc2c1cccc2)C
Complexity: 229
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(n1ccc2c1cccc2)C
Complexity:
229
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AI29873
ChemicalName: 1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride
CasNumber: 1314903-19-9
MolecularFormula: C5H11Cl2N3
MolecularWeight: 184.0669
MdlNumber: MFCD08668456
Smiles: CC(c1c[nH]cn1)N.Cl.Cl
Complexity: 74.1
Covalently-bondedUnitCount: 3
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI29873
ChemicalName:
1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride
CasNumber:
1314903-19-9
MolecularFormula:
C5H11Cl2N3
MolecularWeight:
184.0669
MdlNumber:
MFCD08668456
Smiles:
CC(c1c[nH]cn1)N.Cl.Cl
Complexity:
74.1
Covalently-bondedUnitCount:
3
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(CN)CCC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(CN)CCC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__