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72039-25-9 | Hydrazinecarboxylicacid, 1-methyl-1-(4-pyridinyl)ethyl ester
CAS No: 72039-25-9 Catalog No: AG005DKB MDL No:
Product Description
Catalog Number:
AG005DKB
Chemical Name:
Hydrazinecarboxylicacid, 1-methyl-1-(4-pyridinyl)ethyl ester
CAS Number:
72039-25-9
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2-pyridin-4-ylpropan-2-yl N-aminocarbamate
InChI:
InChI=1S/C9H13N3O2/c1-9(2,14-8(13)12-10)7-3-5-11-6-4-7/h3-6H,10H2,1-2H3,(H,12,13)
InChI Key:
MWAADVUXBKYXJD-UHFFFAOYSA-N
SMILES:
NNC(=O)OC(c1ccncc1)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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