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100369-82-2 | Benzenepropanoic acid, β-amino-, 1-methylethyl ester
CAS No: 100369-82-2 Catalog No: AG0001QB MDL No:MFCD08444150
Product Description
Catalog Number:
AG0001QB
Chemical Name:
Benzenepropanoic acid, β-amino-, 1-methylethyl ester
CAS Number:
100369-82-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD08444150
IUPAC Name:
propan-2-yl 3-amino-3-phenylpropanoate;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(2)15-12(14)8-11(13)10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H
InChI Key:
IKISDTYQDRRPAM-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CC(=O)OC(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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