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46460-73-5 | Benzyl (3-aminopropyl)carbamate
CAS No: 46460-73-5 Catalog No: AG0039P8 MDL No:MFCD02094511
Product Description
Catalog Number:
AG0039P8
Chemical Name:
Benzyl (3-aminopropyl)carbamate
CAS Number:
46460-73-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD02094511
IUPAC Name:
benzyl N-(3-aminopropyl)carbamate
InChI:
InChI=1S/C11H16N2O2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,12H2,(H,13,14)
InChI Key:
JXWABCYGGVHAHB-UHFFFAOYSA-N
SMILES:
NCCCNC(=O)OCc1ccccc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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