Home Aminos 2-aminocycloheptan-1-one hydrochloride

2-aminocycloheptan-1-one hydrochloride

CAS No.:
89914-79-4
Catalog Number:
AG01ALYD
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
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Product Description
Catalog Number:
AG01ALYD
Chemical Name:
2-aminocycloheptan-1-one hydrochloride
CAS Number:
89914-79-4
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD25968571
IUPAC Name:
2-aminocycloheptan-1-one;hydrochloride
InChI:
InChI=1S/C7H13NO.ClH/c8-6-4-2-1-3-5-7(6)9;/h6H,1-5,8H2;1H
InChI Key:
VAODJMVNKYTHMG-UHFFFAOYSA-N
SMILES:
NC1CCCCCC1=O.Cl
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Amino-benzosuberone: a novel warhead for selective inhibition of human aminopeptidase-N/CD13. Bioorganic & medicinal chemistry 20110215
Properties