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13155-12-9 | 1,5-Pentanediamine, 3-methyl-3-nitro-, hydrochloride (1:2)
CAS No: 13155-12-9 Catalog No: AG000ZEZ MDL No:
Product Description
Catalog Number:
AG000ZEZ
Chemical Name:
1,5-Pentanediamine, 3-methyl-3-nitro-, hydrochloride (1:2)
CAS Number:
13155-12-9
Molecular Formula:
C6H17Cl2N3O2
Molecular Weight:
234.1241
IUPAC Name:
3-methyl-3-nitropentane-1,5-diamine
InChI:
InChI=1S/C6H15N3O2/c1-6(2-4-7,3-5-8)9(10)11/h2-5,7-8H2,1H3
InChI Key:
MYHHVTMSAVBSOB-UHFFFAOYSA-N
SMILES:
NCCC([N+](=O)[O-])(CCN)C.Cl.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.116g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.205g/mol
Monoisotopic Mass:
161.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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