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6973-48-4 | 2-aminoethyl naphthalen-1-ylcarbamate acetate(1:1)
CAS No: 6973-48-4 Catalog No: AG005IDF MDL No:
Product Description
Catalog Number:
AG005IDF
Chemical Name:
2-aminoethyl naphthalen-1-ylcarbamate acetate(1:1)
CAS Number:
6973-48-4
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
IUPAC Name:
acetic acid;2-aminoethyl N-naphthalen-1-ylcarbamate
InChI:
InChI=1S/C13H14N2O2.C2H4O2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12;1-2(3)4/h1-7H,8-9,14H2,(H,15,16);1H3,(H,3,4)
InChI Key:
OKDCQLKLOGFPTM-UHFFFAOYSA-N
SMILES:
CC(=O)O.NCCOC(=O)Nc1cccc2c1cccc2
NSC Number:
43232
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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