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114389-69-4 | 1-Propanamine, N-propyl-, acetate (1:1)
CAS No: 114389-69-4 Catalog No: AG000B7O MDL No:MFCD03093617
Product Description
Catalog Number:
AG000B7O
Chemical Name:
1-Propanamine, N-propyl-, acetate (1:1)
CAS Number:
114389-69-4
Molecular Formula:
C8H19NO2
Molecular Weight:
161.2420
MDL Number:
MFCD03093617
IUPAC Name:
acetic acid;N-propylpropan-1-amine
InChI:
InChI=1S/C6H15N.C2H4O2/c1-3-5-7-6-4-2;1-2(3)4/h7H,3-6H2,1-2H3;1H3,(H,3,4)
InChI Key:
LKDMDHMCNGRIAS-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCNCCC
Properties
Complexity:
54.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.245g/mol
Monoisotopic Mass:
161.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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