Home Other Building Blocks methyl 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetate hydrochloride

methyl 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetate hydrochloride

CAS No.:
254102-33-5
Catalog Number:
AG01EHTC
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
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Product Description
Catalog Number:
AG01EHTC
Chemical Name:
methyl 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetate hydrochloride
CAS Number:
254102-33-5
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD31667154
IUPAC Name:
methyl 2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetate;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c1-15-12(14)7-11-6-9-4-2-3-5-10(9)8-13-11;/h2-5,11,13H,6-8H2,1H3;1H/t11-;/m0./s1
InChI Key:
GVCBMTJLYWRBRG-MERQFXBCSA-N
SMILES:
COC(=O)C[C@H]1NCc2c(C1)cccc2.Cl
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties