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1307233-93-7 | Carbamic acid, N-[(4-aminophenyl)iminomethyl]-, hexyl ester, hydrochloride (1:1)
CAS No: 1307233-93-7 Catalog No: AG000UUK MDL No:
Product Description
Catalog Number:
AG000UUK
Chemical Name:
Carbamic acid, N-[(4-aminophenyl)iminomethyl]-, hexyl ester, hydrochloride (1:1)
CAS Number:
1307233-93-7
Molecular Formula:
C14H22ClN3O2
Molecular Weight:
299.7964
IUPAC Name:
hexyl N-(4-aminobenzenecarboximidoyl)carbamate;hydrochloride
InChI:
InChI=1S/C14H21N3O2.ClH/c1-2-3-4-5-10-19-14(18)17-13(16)11-6-8-12(15)9-7-11;/h6-9H,2-5,10,15H2,1H3,(H2,16,17,18);1H
InChI Key:
YEHXBSOVEPWPSD-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)NC=Nc1ccc(cc1)N.Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
299.799g/mol
Monoisotopic Mass:
299.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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