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1271530-46-1 | 2-[Isopropyl-(3-nitro-benzyl)-amino]-ethanol
CAS No: 1271530-46-1 Catalog No: AG01FALY MDL No:
Product Description
Catalog Number:
AG01FALY
Chemical Name:
2-[Isopropyl-(3-nitro-benzyl)-amino]-ethanol
CAS Number:
1271530-46-1
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
2-[(3-nitrophenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C12H18N2O3/c1-10(2)13(6-7-15)9-11-4-3-5-12(8-11)14(16)17/h3-5,8,10,15H,6-7,9H2,1-2H3
InChI Key:
KFXUZCATZBYRPD-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
240
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:
2
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