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1555-68-6 | 1,3-Propanediamine, N1-(3-aminopropyl)-N1-butyl-
CAS No: 1555-68-6 Catalog No: AG001NYP MDL No:
Product Description
Catalog Number:
AG001NYP
Chemical Name:
1,3-Propanediamine, N1-(3-aminopropyl)-N1-butyl-
CAS Number:
1555-68-6
Molecular Formula:
C10H25N3
Molecular Weight:
187.3256
IUPAC Name:
N'-(3-aminopropyl)-N'-butylpropane-1,3-diamine
InChI:
InChI=1S/C10H25N3/c1-2-3-8-13(9-4-6-11)10-5-7-12/h2-12H2,1H3
InChI Key:
CMDGBXZMCXCQFG-UHFFFAOYSA-N
SMILES:
CCCCN(CCCN)CCCN
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.205g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.331g/mol
Monoisotopic Mass:
187.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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