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797762-15-3 | Cyclohexaneacetic acid, 1-(aminomethyl)-, hydrobromide
CAS No: 797762-15-3 Catalog No: AG005HDR MDL No:
Product Description
Catalog Number:
AG005HDR
Chemical Name:
Cyclohexaneacetic acid, 1-(aminomethyl)-, hydrobromide
CAS Number:
797762-15-3
Molecular Formula:
C9H18BrNO2
Molecular Weight:
252.1487
IUPAC Name:
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
InChI:
InChI=1S/C9H17NO2.BrH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChI Key:
DJOITRXLMIEMFM-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)CC(=O)O.Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.152g/mol
Monoisotopic Mass:
251.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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