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2626-52-0 | 1-Propanamine, N,N-diethyl-3-isothiocyanato-
CAS No: 2626-52-0 Catalog No: AG002SHM MDL No:MFCD00041133
Product Description
Catalog Number:
AG002SHM
Chemical Name:
1-Propanamine, N,N-diethyl-3-isothiocyanato-
CAS Number:
2626-52-0
Molecular Formula:
C8H16N2S
Molecular Weight:
172.2910
MDL Number:
MFCD00041133
IUPAC Name:
N,N-diethyl-3-isothiocyanatopropan-1-amine
InChI:
InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3
InChI Key:
QPBVKSLJBRCKIF-UHFFFAOYSA-N
SMILES:
S=C=NCCCN(CC)CC
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.29g/mol
Monoisotopic Mass:
172.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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