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100859-42-5 | 2-Propen-1-amine, 3-chloro-N-propyl-
CAS No: 100859-42-5 Catalog No: AG000313 MDL No:
Product Description
Catalog Number:
AG000313
Chemical Name:
2-Propen-1-amine, 3-chloro-N-propyl-
CAS Number:
100859-42-5
Molecular Formula:
C6H12ClN
Molecular Weight:
133.6192
IUPAC Name:
3-chloro-N-propylprop-2-en-1-amine
InChI:
InChI=1S/C6H12ClN/c1-2-5-8-6-3-4-7/h3-4,8H,2,5-6H2,1H3
InChI Key:
HXWWMFOQRGCXNI-UHFFFAOYSA-N
SMILES:
CCCNCC=CCl
Properties
Complexity:
61.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.619g/mol
Monoisotopic Mass:
133.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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