Home Nitros Ethyl-(3-nitro-benzyl)-aMine HYDROCHLORIDE

Ethyl-(3-nitro-benzyl)-aMine HYDROCHLORIDE

CAS No.:
90389-71-2
Catalog Number:
AG00GUAY
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
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Product Description
Catalog Number:
AG00GUAY
Chemical Name:
Ethyl-(3-nitro-benzyl)-aMine HYDROCHLORIDE
CAS Number:
90389-71-2
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
MDL Number:
MFCD07110182
IUPAC Name:
N-[(3-nitrophenyl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H12N2O2.ClH/c1-2-10-7-8-4-3-5-9(6-8)11(12)13;/h3-6,10H,2,7H2,1H3;1H
InChI Key:
IPELTCBRKZZTTK-UHFFFAOYSA-N
SMILES:
CCNCc1cccc(c1)[N+](=O)[O-].Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Benzylamines: synthesis and evaluation of antimycobacterial properties. Journal of medicinal chemistry 19840901
Properties