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289913-98-0

289913-98-0 | 2-nitro-5-(1-pyrrolidinyl)aniline

CAS No: 289913-98-0 Catalog No: AG00I5E7 MDL No:MFCD00545947

Product Description

Catalog Number:
AG00I5E7
Chemical Name:
2-nitro-5-(1-pyrrolidinyl)aniline
CAS Number:
289913-98-0
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD00545947
IUPAC Name:
2-nitro-5-pyrrolidin-1-ylaniline
InChI:
InChI=1S/C10H13N3O2/c11-9-7-8(12-5-1-2-6-12)3-4-10(9)13(14)15/h3-4,7H,1-2,5-6,11H2
InChI Key:
KZZVVXNPKKQIJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1N)N1CCCC1

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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