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1353985-72-4 | 2-[Cyclopropyl-(4-nitro-benzyl)-amino]-ethanol
CAS No: 1353985-72-4 Catalog No: AG01FA2R MDL No:
Product Description
Catalog Number:
AG01FA2R
Chemical Name:
2-[Cyclopropyl-(4-nitro-benzyl)-amino]-ethanol
CAS Number:
1353985-72-4
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
2-[cyclopropyl-[(4-nitrophenyl)methyl]amino]ethanol
InChI:
InChI=1S/C12H16N2O3/c15-8-7-13(11-5-6-11)9-10-1-3-12(4-2-10)14(16)17/h1-4,11,15H,5-9H2
InChI Key:
ZPDXZCGATGXFEI-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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