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2456-97-5 | 1-Propanamine, 3-isocyano-N,N-bis(3-isocyanopropyl)-
CAS No: 2456-97-5 Catalog No: AG002OJT MDL No:
Product Description
Catalog Number:
AG002OJT
Chemical Name:
1-Propanamine, 3-isocyano-N,N-bis(3-isocyanopropyl)-
CAS Number:
2456-97-5
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
IUPAC Name:
3-isocyano-N,N-bis(3-isocyanopropyl)propan-1-amine
InChI:
InChI=1S/C12H18N4/c1-13-7-4-10-16(11-5-8-14-2)12-6-9-15-3/h4-12H2
InChI Key:
IGVKNTGBMSBIJG-UHFFFAOYSA-N
SMILES:
[C-]#[N+]CCCN(CCC[N+]#[C-])CCC[N+]#[C-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.304g/mol
Monoisotopic Mass:
218.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
16.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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