C1=CC(=CC(=C1)[N+](=O)[O-])CN
CAS: 7409-18-9
Name: (3-nitrophenyl)methanamine
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN

Molecular Processing

Molecular formula
C7H8N2O2
Molecular weight
152.15
Exact mass
152.0586
XLogP
1.05
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
40.99

Supplementary Information

InChIKey: CIUYJYRQKYGNQP-UHFFFAOYSA-N
Synonyme
7409-18-93-Nitrobenzylaminemeta-NitrobenzylamineRefChem:504490(3-Nitrophenyl)methanamineBenzenemethanamine, 3-nitro-m-nitrobenzylamine1-(3-NITROPHENYL)METHANAMINEMFCD034110033-Nitrobenzylammonium hydrochloride3-nitrobenzyl amine3-Nitro-benzylamine3-Nitro-benzyl-aminebenzylamine, 3-nitro-3-Nitrobenzylammonium HCl(3-nitrophenyl)methylamineSCHEMBL43921SCHEMBL43922(3-nitrophenyl)-methyl-amine(3-Nitrophenyl)methanamine #SCHEMBL5585098CHEMBL1626790SCHEMBL30504205DTXSID90995532(3-nitrobenzyl)amine hydrochlorideEINECS 247-502-8AB7685SBB005862AKOS000194412AB14090
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