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1555-72-2 | 1,3-Propanediamine, N1-(3-aminopropyl)-N1-phenyl-
CAS No: 1555-72-2 Catalog No: AG001NYN MDL No:
Product Description
Catalog Number:
AG001NYN
Chemical Name:
1,3-Propanediamine, N1-(3-aminopropyl)-N1-phenyl-
CAS Number:
1555-72-2
Molecular Formula:
C12H21N3
Molecular Weight:
207.3152
IUPAC Name:
N'-(3-aminopropyl)-N'-phenylpropane-1,3-diamine
InChI:
InChI=1S/C12H21N3/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13-14H2
InChI Key:
FCYLESXZIMNFSO-UHFFFAOYSA-N
SMILES:
NCCCN(c1ccccc1)CCCN
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.174g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.321g/mol
Monoisotopic Mass:
207.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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