Cas no 102494-87-1 ((2-Aminoethyl)[(2-nitrophenyl)methyl]amine)
102494-87-1 structure
Product Name:(2-Aminoethyl)[(2-nitrophenyl)methyl]amine
CAS No:102494-87-1
MF:C9H13N3O2
MW:195.218421697617
CID:2625195
PubChem ID:53350317
Update Time:2025-04-21
(2-Aminoethyl)[(2-nitrophenyl)methyl]amine Chemical and Physical Properties
Names and Identifiers
-
- N-(2-Nitrobenzyl)-1,2-ethanediamine
- 2-diaMine
- N1-(2-nitrobenzyl)ethane-1
- SCHEMBL20024573
- N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
- 102494-87-1
- AKOS010110221
- (2-AMINOETHYL)[(2-NITROPHENYL)METHYL]AMINE
- (2-Aminoethyl)[(2-nitrophenyl)methyl]amine
-
- Inchi: 1S/C9H13N3O2/c10-5-6-11-7-8-3-1-2-4-9(8)12(13)14/h1-4,11H,5-7,10H2
- InChI Key: AEVYOOWHCJTENF-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CC=CC=1CNCCN)=O
Computed Properties
- Exact Mass: 195.101
- Monoisotopic Mass: 195.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 83.9A^2
Experimental Properties
- PSA: 83.87000
- LogP: 2.25750
(2-Aminoethyl)[(2-nitrophenyl)methyl]amine Related Literature
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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