Home Amines 25186-43-0
25186-43-0,MFCD00128997
Catalog No.:AA002QQH
25186-43-0 | Benzenamine, N-(1-methylethyl)-4-nitro-
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1g
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Technical Information
Catalog Number:
AA002QQH
Chemical Name:
Benzenamine, N-(1-methylethyl)-4-nitro-
CAS Number:
25186-43-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00128997
IUPAC Name:
4-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C9H12N2O2/c1-7(2)10-8-3-5-9(6-4-8)11(12)13/h3-7,10H,1-2H3
InChI Key:
VTSUWHFLMJLYKN-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1)[N+](=O)[O-])C
EC Number:
246-721-6
Properties
Computed Properties
 
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
N-Isopropyl-4-nitroaniline 
25186-43-0 
SCHEMBL3141855 
4-Nitro-N-propan-2-yl-aniline 
DTXSID9067067 
CTK4F5158 
VTSUWHFLMJLYKN-UHFFFAOYSA-N 
N-(1-Methylethyl)-4-nitroaniline 
ZINC5188906 
AKOS003632228 
MCULE-1741398225 
N-Isopropyl-4-nitroaniline, AldrichCPR 
4-nitro-N-propan-2-ylaniline 
Benzenamine,N-(1-methylethyl)-4-nitro- 
AS-40542 
K-6641 
InChI=1/C9H12N2O2/c1-7(2)10-8-3-5-9(6-4-8)11(12)13/h3-7,10H,1-2H 
C9H12N2O2 
CID32833 
C9-H12-N2-O2 
Benzenamine, N-(1-methylethyl)-4-nitro- 
MFCD00128997 
EINECS 246-721-6 
AC1L1OI6 
4-isopropylamino-nitrobenzene 
Oprea1_264226 
(p-nitrophenyl)-isopropylamine 
Literature
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