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128173-50-2 | Carbamic acid, N-(4-cyanobutyl)-N-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS No: 128173-50-2 Catalog No: AG000XUI MDL No:MFCD14583154
Product Description
Catalog Number:
AG000XUI
Chemical Name:
Carbamic acid, N-(4-cyanobutyl)-N-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS Number:
128173-50-2
Molecular Formula:
C17H24N2O3
Molecular Weight:
304.3841
MDL Number:
MFCD14583154
IUPAC Name:
tert-butyl N-(4-cyanobutyl)-N-phenylmethoxycarbamate
InChI:
InChI=1S/C17H24N2O3/c1-17(2,3)22-16(20)19(13-9-5-8-12-18)21-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,13-14H2,1-3H3
InChI Key:
PMFJIAMYWRXMHN-UHFFFAOYSA-N
SMILES:
N#CCCCCN(C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.39g/mol
Monoisotopic Mass:
304.179g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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