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114766-64-2 | Ethanesulfonic acid, 2-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-
CAS No: 114766-64-2 Catalog No: AG000F69 MDL No:
Product Description
Catalog Number:
AG000F69
Chemical Name:
Ethanesulfonic acid, 2-[(3,4-dihydro-2H-pyrrol-5-yl)amino]-
CAS Number:
114766-64-2
Molecular Formula:
C6H12N2O3S
Molecular Weight:
192.2361
IUPAC Name:
2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethanesulfonic acid
InChI:
InChI=1S/C6H12N2O3S/c9-12(10,11)5-4-8-6-2-1-3-7-6/h1-5H2,(H,7,8)(H,9,10,11)
InChI Key:
YCWDUIRIMNSSLX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCNC1=NCCC1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.233g/mol
Monoisotopic Mass:
192.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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