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101491-41-2 | Imidodicarbonimidic diamide, N,N-dipentyl-, hydrochloride (1:1)
CAS No: 101491-41-2 Catalog No: AG0004LD MDL No:
Product Description
Catalog Number:
AG0004LD
Chemical Name:
Imidodicarbonimidic diamide, N,N-dipentyl-, hydrochloride (1:1)
CAS Number:
101491-41-2
Molecular Formula:
C12H28ClN5
Molecular Weight:
277.8372
IUPAC Name:
3-(diaminomethylidene)-1,1-dipentylguanidine;hydrochloride
InChI:
InChI=1S/C12H27N5.ClH/c1-3-5-7-9-17(10-8-6-4-2)12(15)16-11(13)14;/h3-10H2,1-2H3,(H5,13,14,15,16);1H
InChI Key:
MNFVOBDZWLQHFW-UHFFFAOYSA-N
SMILES:
CCCCCN(C(=N)NC(=N)N)CCCCC.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.203g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
277.841g/mol
Monoisotopic Mass:
277.203g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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