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113402-24-7 | Carbamic acid, dimethyl-, 2-(1-pyrrolidinylmethyl)-3-pyridinyl ester (9CI)
CAS No: 113402-24-7 Catalog No: AG0008GR MDL No:
Product Description
Catalog Number:
AG0008GR
Chemical Name:
Carbamic acid, dimethyl-, 2-(1-pyrrolidinylmethyl)-3-pyridinyl ester (9CI)
CAS Number:
113402-24-7
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
[2-(pyrrolidin-1-ylmethyl)pyridin-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C13H19N3O2/c1-15(2)13(17)18-12-6-5-7-14-11(12)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3
InChI Key:
QLDIXZKWMJHRRU-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Oc1cccnc1CN1CCCC1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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