Home Other Building Blocks 2-(3,4-dihydro-2H-1-benzopyran-4-yl)guanidine hydrochloride

2-(3,4-dihydro-2H-1-benzopyran-4-yl)guanidine hydrochloride

CAS No.:
1803599-28-1
Catalog Number:
AG01AF67
Molecular Formula:
C10H14ClN3O
Molecular Weight:
227.6907
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Product Description
Catalog Number:
AG01AF67
Chemical Name:
2-(3,4-dihydro-2H-1-benzopyran-4-yl)guanidine hydrochloride
CAS Number:
1803599-28-1
Molecular Formula:
C10H14ClN3O
Molecular Weight:
227.6907
MDL Number:
MFCD27500741
IUPAC Name:
2-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydrochloride
InChI:
InChI=1S/C10H13N3O.ClH/c11-10(12)13-8-5-6-14-9-4-2-1-3-7(8)9;/h1-4,8H,5-6H2,(H4,11,12,13);1H
InChI Key:
BJKPUZUSKYEYBK-UHFFFAOYSA-N
SMILES:
NC(=NC1CCOc2c1cccc2)N.Cl
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.692g/mol
Monoisotopic Mass:
227.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties