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1373253-18-9 | Carbamic acid, N-(3-aminopropyl)-N-(2-methyl-1-oxo-2-propen-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1373253-18-9 Catalog No: AG001355 MDL No:MFCD21604146
Product Description
Catalog Number:
AG001355
Chemical Name:
Carbamic acid, N-(3-aminopropyl)-N-(2-methyl-1-oxo-2-propen-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1373253-18-9
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD21604146
IUPAC Name:
tert-butyl N-(3-aminopropyl)-N-(2-methylprop-2-enoyl)carbamate
InChI:
InChI=1S/C12H22N2O3/c1-9(2)10(15)14(8-6-7-13)11(16)17-12(3,4)5/h1,6-8,13H2,2-5H3
InChI Key:
XACRUIWMDMEPBS-UHFFFAOYSA-N
SMILES:
NCCCN(C(=O)C(=C)C)C(=O)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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