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100930-07-2 | 2-Pyrrolidinecarboxamide, N-(4-methoxy-2-naphthalenyl)-, monohydrochloride, (2S)- (9CI)
CAS No: 100930-07-2 Catalog No: AG000386 MDL No:MFCD00058032
Product Description
Catalog Number:
AG000386
Chemical Name:
2-Pyrrolidinecarboxamide, N-(4-methoxy-2-naphthalenyl)-, monohydrochloride, (2S)- (9CI)
CAS Number:
100930-07-2
Molecular Formula:
C16H19ClN2O2
Molecular Weight:
306.7873
MDL Number:
MFCD00058032
IUPAC Name:
(2S)-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide;hydrochloride
InChI:
InChI=1S/C16H18N2O2.ClH/c1-20-15-10-12(9-11-5-2-3-6-13(11)15)18-16(19)14-7-4-8-17-14;/h2-3,5-6,9-10,14,17H,4,7-8H2,1H3,(H,18,19);1H/t14-;/m0./s1
InChI Key:
DKLGYZDYMFOBFD-UQKRIMTDSA-N
SMILES:
COc1cc(NC(=O)[C@@H]2CCCN2)cc2c1cccc2.Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.79g/mol
Monoisotopic Mass:
306.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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