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71160-41-3 | Benzamide, 4-amino-N-(2-aminoethyl)-
CAS No: 71160-41-3 Catalog No: AG005KOV MDL No:MFCD14694573
Product Description
Catalog Number:
AG005KOV
Chemical Name:
Benzamide, 4-amino-N-(2-aminoethyl)-
CAS Number:
71160-41-3
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD14694573
IUPAC Name:
4-amino-N-(2-aminoethyl)benzamide
InChI:
InChI=1S/C9H13N3O/c10-5-6-12-9(13)7-1-3-8(11)4-2-7/h1-4H,5-6,10-11H2,(H,12,13)
InChI Key:
UJJLJVJQAJWFIA-UHFFFAOYSA-N
SMILES:
NCCNC(=O)c1ccc(cc1)N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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