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106790-72-1

106790-72-1 | 2-[Isopropyl-(4-nitro-benzyl)-amino]-ethanol

CAS No: 106790-72-1 Catalog No: AG01FAJD MDL No:

Product Description

Catalog Number:
AG01FAJD
Chemical Name:
2-[Isopropyl-(4-nitro-benzyl)-amino]-ethanol
CAS Number:
106790-72-1
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
2-[(4-nitrophenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C12H18N2O3/c1-10(2)13(7-8-15)9-11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,7-9H2,1-2H3
InChI Key:
GKXKMVCWMFZEPU-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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