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68133-98-2 | 4-Nitro-N-(n-propyl)benzylamine hydrochloride, 99%
CAS No: 68133-98-2 Catalog No: AG003LVJ MDL No:
Product Description
Catalog Number:
AG003LVJ
Chemical Name:
4-Nitro-N-(n-propyl)benzylamine hydrochloride, 99%
CAS Number:
68133-98-2
Molecular Formula:
C10H15ClN2O2
Molecular Weight:
230.6913
IUPAC Name:
N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H
InChI Key:
LWISLZIFEARHJI-UHFFFAOYSA-N
SMILES:
CCCNCc1ccc(cc1)[N+](=O)[O-].Cl
EC Number:
268-721-5
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.692g/mol
Monoisotopic Mass:
230.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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