Home Other Building Blocks 3-fluoro-4-[2-(propan-2-yl)pyrrolidin-1-yl]aniline dihydrochloride

3-fluoro-4-[2-(propan-2-yl)pyrrolidin-1-yl]aniline dihydrochloride

CAS No.:
1432679-70-3
Catalog Number:
AG01A4VT
Molecular Formula:
C13H21Cl2FN2
Molecular Weight:
295.2236
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Product Description
Catalog Number:
AG01A4VT
Chemical Name:
3-fluoro-4-[2-(propan-2-yl)pyrrolidin-1-yl]aniline dihydrochloride
CAS Number:
1432679-70-3
Molecular Formula:
C13H21Cl2FN2
Molecular Weight:
295.2236
MDL Number:
MFCD24369148
IUPAC Name:
3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)aniline;dihydrochloride
InChI:
InChI=1S/C13H19FN2.2ClH/c1-9(2)12-4-3-7-16(12)13-6-5-10(15)8-11(13)14;;/h5-6,8-9,12H,3-4,7,15H2,1-2H3;2*1H
InChI Key:
RFLYECKYPJWREW-UHFFFAOYSA-N
SMILES:
CC(C1CCCN1c1ccc(cc1F)N)C.Cl.Cl
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.107g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
295.223g/mol
Monoisotopic Mass:
294.107g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties