Home Carboxys sodium 5-amino-5,6,7,8-tetrahydroisoquinoline-5-carboxylate

sodium 5-amino-5,6,7,8-tetrahydroisoquinoline-5-carboxylate

CAS No.:
2138217-69-1
Catalog Number:
AG01ELJ3
Molecular Formula:
C10H11N2NaO2
Molecular Weight:
214.1963
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Product Description
Catalog Number:
AG01ELJ3
Chemical Name:
sodium 5-amino-5,6,7,8-tetrahydroisoquinoline-5-carboxylate
CAS Number:
2138217-69-1
Molecular Formula:
C10H11N2NaO2
Molecular Weight:
214.1963
MDL Number:
MFCD31421802
IUPAC Name:
sodium;5-amino-7,8-dihydro-6H-isoquinoline-5-carboxylate
InChI:
InChI=1S/C10H12N2O2.Na/c11-10(9(13)14)4-1-2-7-6-12-5-3-8(7)10;/h3,5-6H,1-2,4,11H2,(H,13,14);/q;+1/p-1
InChI Key:
DHTUXFOGUBEPSF-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C1(N)CCCc2c1ccnc2.[Na+]
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.2g/mol
Monoisotopic Mass:
214.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties