Home Other Building Blocks 4-((1S)-1-AMINOETHYL)-2-METHOXYBENZOIC ACID HYDROCHLORIDE

4-((1S)-1-AMINOETHYL)-2-METHOXYBENZOIC ACID HYDROCHLORIDE

CAS No.:
2216747-15-6
Catalog Number:
AG01DU7S
Molecular Formula:
C10H14ClNO3
Molecular Weight:
231.6761
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Product Description
Catalog Number:
AG01DU7S
Chemical Name:
4-((1S)-1-AMINOETHYL)-2-METHOXYBENZOIC ACID HYDROCHLORIDE
CAS Number:
2216747-15-6
Molecular Formula:
C10H14ClNO3
Molecular Weight:
231.6761
MDL Number:
MFCD31698256
IUPAC Name:
4-(1-aminoethyl)-2-methoxybenzoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO3.ClH/c1-6(11)7-3-4-8(10(12)13)9(5-7)14-2;/h3-6H,11H2,1-2H3,(H,12,13);1H
InChI Key:
UGKRDVLGBIQASK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)O)[C@@H](N)C.Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.066g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.676g/mol
Monoisotopic Mass:
231.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties