AE33947
135875-16-0 | 2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine
Manufacturer: A2B Chem
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CatalogNumber
AE33947
ChemicalName
2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine
CasNumber
135875-16-0
MolecularFormula
C9H10ClN3
MolecularWeight
195.6488
MdlNumber
MFCD02255631
Smiles
NCCc1nc2c([nH]1)ccc(c2)Cl
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AE33947
ChemicalName: 2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine
CasNumber: 135875-16-0
MolecularFormula: C9H10ClN3
MolecularWeight: 195.6488
MdlNumber: MFCD02255631
Smiles: NCCc1nc2c([nH]1)ccc(c2)Cl
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AE33947
ChemicalName:
2-(5-chloro-1H-1,3-benzodiazol-2-yl)ethanamine
CasNumber:
135875-16-0
MolecularFormula:
C9H10ClN3
MolecularWeight:
195.6488
MdlNumber:
MFCD02255631
Smiles:
NCCc1nc2c([nH]1)ccc(c2)Cl
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC2(CCNCC2)Oc2c1cccc2
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC2(CCNCC2)Oc2c1cccc2
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(F)(F)F)c1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(F)(F)F)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CNc2c(CN1C(=O)OC(C)(C)C)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CNc2c(CN1C(=O)OC(C)(C)C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__