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66474-81-5 | N1-(3-Methoxypropyl)benzene-1,2-diamine
CAS No: 66474-81-5 Catalog No: AG01FCH4 MDL No:
Product Description
Catalog Number:
AG01FCH4
Chemical Name:
N1-(3-Methoxypropyl)benzene-1,2-diamine
CAS Number:
66474-81-5
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
2-N-(3-methoxypropyl)benzene-1,2-diamine
InChI:
InChI=1S/C10H16N2O/c1-13-8-4-7-12-10-6-3-2-5-9(10)11/h2-3,5-6,12H,4,7-8,11H2,1H3
InChI Key:
WSPKXXKEAQPISZ-UHFFFAOYSA-N
SMILES:
COCCCNc1ccccc1N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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