Home Nitros methyl[1-(3-nitrophenyl)ethyl]amine

methyl[1-(3-nitrophenyl)ethyl]amine

CAS No.:
118949-34-1
Catalog Number:
AG019M3Q
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG019M3Q
Chemical Name:
methyl[1-(3-nitrophenyl)ethyl]amine
CAS Number:
118949-34-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD10686730
IUPAC Name:
N-methyl-1-(3-nitrophenyl)ethanamine
InChI:
InChI=1S/C9H12N2O2/c1-7(10-2)8-4-3-5-9(6-8)11(12)13/h3-7,10H,1-2H3
InChI Key:
OFDFLRRBKHRICK-UHFFFAOYSA-N
SMILES:
CNC(c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties